 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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                  1.9656663360          -0.25019961976
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                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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                  2.5207180000          -1.0707548832
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                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
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                 12.000000000           -1.6510077975
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
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            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895304/Gau-235785.inp" -scrdir="/scratch/9895304/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    235786.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer01_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=Water)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=1,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=1,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 19:13:53 2022, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer01_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.639995000000      1.210425000000     -0.197110000000
  C                                                -1.660478000000      0.161160000000      0.197504000000
  C                                                 0.736747000000      0.795510000000      0.286144000000
  C                                                 1.079369000000     -0.604203000000     -0.228054000000
  O                                                 0.067145000000     -1.517619000000      0.198419000000
  C                                                -1.216562000000     -1.213556000000     -0.304644000000
  O                                                -0.922509000000      2.483202000000      0.369953000000
  H                                                -0.621099000000      1.285662000000     -1.292336000000
  O                                                -2.907145000000      0.541845000000     -0.359981000000
  H                                                -1.721531000000      0.118750000000      1.294206000000
  H                                                 0.727111000000      0.765851000000      1.383318000000
  O                                                 1.732438000000      1.706543000000     -0.165282000000
  C                                                 2.410891000000     -1.123510000000      0.302675000000
  H                                                 1.126892000000     -0.582940000000     -1.324712000000
  O                                                -2.103572000000     -2.214928000000      0.095778000000
  H                                                -1.218810000000     -1.228110000000     -1.401446000000
  H                                                -1.811276000000      2.739925000000      0.096905000000
  H                                                -3.533704000000     -0.176052000000     -0.206287000000
  H                                                 1.430941000000      2.597378000000      0.052923000000
  O                                                 3.515463000000     -0.471376000000     -0.290315000000
  H                                                 2.491301000000     -2.182394000000      0.056578000000
  H                                                 2.421925000000     -1.030335000000      1.397090000000
  H                                                -1.970048000000     -2.365618000000      1.041455000000
  H                                                 3.363901000000      0.481597000000     -0.225378000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Mar 16 19:13:53 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922509    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541845   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123510    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811276    2.739925    0.096905
     18          1           0       -3.533704   -0.176052   -0.206287
     19          1           0        1.430941    2.597378    0.052923
     20          8           0        3.515463   -0.471376   -0.290315
     21          1           0        2.491301   -2.182394    0.056578
     22          1           0        2.421925   -1.030335    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481597   -0.225378
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515936   0.000000
     3  C    1.516940   2.481319   0.000000
     4  C    2.500009   2.876394   1.530028   0.000000
     5  O    2.845824   2.408938   2.409695   1.428568   0.000000
     6  C    2.493928   1.529398   2.863703   2.376652   1.411889
     7  O    1.421737   2.442584   2.368218   3.727895   4.124974
     8  H    1.097970   2.136454   2.139064   2.756062   3.248756
     9  O    2.369282   1.417706   3.709417   4.150075   3.660547
    10  H    2.141378   1.099219   2.741774   3.268788   2.660416
    11  H    2.136440   2.733567   1.097617   2.144214   2.655895
    12  O    2.423960   3.745891   1.423084   2.402080   3.647012
    13  C    3.873621   4.270537   2.546698   1.524567   2.378936
    14  H    2.758538   3.261941   2.155735   1.097893   2.077647
    15  O    3.736427   2.419189   4.143234   3.581957   2.282277
    16  H    2.780630   2.163743   3.281341   2.654757   2.072936
    17  H    1.948772   2.585128   3.210760   4.432225   4.654616
    18  H    3.208731   1.945696   4.407173   4.632950   3.863897
    19  H    2.504981   3.938646   1.945000   3.233059   4.337546
    20  O    4.483857   5.237216   3.107824   2.440507   3.636534
    21  H    4.623915   4.769630   3.463968   2.136646   2.517653
    22  H    4.115560   4.418674   2.721716   2.150613   2.686866
    23  H    4.011380   2.681920   4.229653   3.743418   2.362195
    24  H    4.069788   5.052316   2.694835   2.529438   3.878797
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.769293   0.000000
     8  H    2.752490   2.070786   0.000000
     9  O    2.437738   2.870619   2.578479   0.000000
    10  H    2.141578   2.661449   3.043490   2.078707   0.000000
    11  H    3.247327   2.587943   3.040888   4.036965   2.534271
    12  O    4.152469   2.817520   2.643204   4.787500   4.071989
    13  C    3.679043   4.911665   4.188214   5.611954   4.427556
    14  H    2.632488   4.058714   2.558944   4.297593   3.932507
    15  O    1.396378   4.852062   4.047063   2.907446   2.651082
    16  H    1.096901   4.123043   2.586158   2.658546   3.055045
    17  H    4.018076   0.964556   2.336962   2.498245   2.883079
    18  H    2.540716   3.771210   3.435022   0.965181   2.371151
    19  H    4.654067   2.377451   2.782299   4.818163   4.197911
    20  O    4.789895   5.372251   4.604604   6.502412   5.503186
    21  H    3.849335   5.789654   4.851187   6.061206   4.957312
    22  H    4.020952   4.958346   4.675131   5.827352   4.301071
    23  H    1.925349   5.005927   4.538512   3.360880   2.509527
    24  H    4.884718   4.768034   4.202992   6.272780   5.320001
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.072136   0.000000
    13  C    2.751834   2.947623   0.000000
    14  H    3.051637   2.636797   2.142255   0.000000
    15  O    4.307618   5.491909   4.649126   3.888068   0.000000
    16  H    3.939213   4.341676   4.011197   2.434019   1.999573
    17  H    3.463414   3.700612   5.726706   4.657817   4.963467
    18  H    4.644197   5.592682   6.041103   4.810155   2.508692
    19  H    2.370616   0.965454   3.855864   3.479188   5.971006
    20  O    3.479466   2.817471   1.413151   2.605321   5.895981
    21  H    3.683036   3.968492   1.090076   2.515517   4.595155
    22  H    2.469589   3.225973   1.098430   3.047208   4.855594
    23  H    4.147003   5.634458   4.613161   4.285758   0.966872
    24  H    3.101832   2.041023   1.939958   2.710347   6.104724
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.282683   0.000000
    18  H    2.809620   3.400236   0.000000
    19  H    4.875523   3.245647   5.692697   0.000000
    20  O    4.921443   6.231897   7.055851   3.725627   0.000000
    21  H    4.098953   6.537815   6.355721   4.895978   2.024062
    22  H    4.596289   5.815955   6.226567   3.993637   2.087007
    23  H    2.797508   5.194608   2.965819   6.097151   5.954208
    24  H    5.030653   5.655649   6.928912   2.879291   0.967133
                   21         22         23         24
    21  H    0.000000
    22  H    1.768905   0.000000
    23  H    4.572438   4.604225   0.000000
    24  H    2.817406   2.409494   6.177581   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.96D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922509    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541845   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123510    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811276    2.739925    0.096905
     18          1           0       -3.533704   -0.176052   -0.206287
     19          1           0        1.430941    2.597378    0.052923
     20          8           0        3.515463   -0.471376   -0.290315
     21          1           0        2.491301   -2.182394    0.056578
     22          1           0        2.421925   -1.030335    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481597   -0.225378
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3109434           0.7353740           0.4929629
 Leave Link  202 at Wed Mar 16 19:13:53 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       827.8206451452 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0396489727 Hartrees.
 Nuclear repulsion after empirical dispersion term =      827.7809961725 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   24.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : Water, Eps=  78.355300 Eps(inf)=   1.777849
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      24
 GePol: Total number of spheres                      =      24
 GePol: Number of exposed spheres                    =      24 (100.00%)
 GePol: Number of points                             =    1687
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.16D-10
 GePol: Maximum weight of points                     =    0.20299
 GePol: Number of points with low weight             =     125
 GePol: Fraction of low-weight points (<1% of avg)   =       7.41%
 GePol: Cavity surface area                          =    224.646 Ang**2
 GePol: Cavity volume                                =    232.959 Ang**3
 Leave Link  301 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.65D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   377   377   377   377   377 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer01_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368416640 LenY=  5368273315
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8537907.
 Iteration    1 A*A^-1 deviation from unit magnitude is 7.55D-15 for   1683.
 Iteration    1 A*A^-1 deviation from orthogonality  is 3.17D-15 for   1661    286.
 Iteration    1 A^-1*A deviation from unit magnitude is 7.55D-15 for   1683.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.94D-15 for   1687   1018.
 E= -686.776710142812    
 DIIS: error= 2.38D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.776710142812     IErMin= 1 ErrMin= 2.38D-03
 ErrMax= 2.38D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-02 BMatP= 1.64D-02
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.38D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.294 Goal=   None    Shift=    0.000
 GapD=    0.294 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.22D-03 MaxDP=3.32D-01              OVMax= 2.22D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.17D-03    CP:  1.05D+00
 E= -686.791862444272     Delta-E=       -0.015152301460 Rises=F Damp=F
 DIIS: error= 8.73D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.791862444272     IErMin= 2 ErrMin= 8.73D-04
 ErrMax= 8.73D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-03 BMatP= 1.64D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.73D-03
 Coeff-Com:  0.955D-01 0.905D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.946D-01 0.905D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=3.35D-04 MaxDP=1.25D-02 DE=-1.52D-02 OVMax= 7.93D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.79D-04    CP:  1.05D+00  1.03D+00
 E= -686.791535736151     Delta-E=        0.000326708121 Rises=F Damp=F
 DIIS: error= 1.07D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -686.791862444272     IErMin= 2 ErrMin= 8.73D-04
 ErrMax= 1.07D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-03 BMatP= 1.26D-03
 IDIUse=3 WtCom= 2.34D-01 WtEn= 7.66D-01
 Coeff-Com: -0.189D-01 0.552D+00 0.467D+00
 Coeff-En:   0.000D+00 0.564D+00 0.436D+00
 Coeff:     -0.443D-02 0.561D+00 0.443D+00
 Gap=     0.282 Goal=   None    Shift=    0.000
 RMSDP=1.56D-04 MaxDP=8.52D-03 DE= 3.27D-04 OVMax= 4.46D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.21D-04    CP:  1.05D+00  1.04D+00  7.06D-01
 E= -686.792837251948     Delta-E=       -0.001301515797 Rises=F Damp=F
 DIIS: error= 1.06D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.792837251948     IErMin= 4 ErrMin= 1.06D-04
 ErrMax= 1.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-05 BMatP= 1.26D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.06D-03
 Coeff-Com: -0.118D-01 0.264D+00 0.225D+00 0.523D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.118D-01 0.264D+00 0.224D+00 0.524D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=3.68D-05 MaxDP=1.26D-03 DE=-1.30D-03 OVMax= 5.99D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.42D-05    CP:  1.05D+00  1.04D+00  6.94D-01  9.52D-01
 E= -686.792854482056     Delta-E=       -0.000017230108 Rises=F Damp=F
 DIIS: error= 2.02D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.792854482056     IErMin= 5 ErrMin= 2.02D-05
 ErrMax= 2.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.43D-07 BMatP= 1.86D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.122D-02 0.116D-01 0.115D-01 0.146D+00 0.832D+00
 Coeff:     -0.122D-02 0.116D-01 0.115D-01 0.146D+00 0.832D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=8.05D-06 MaxDP=3.07D-04 DE=-1.72D-05 OVMax= 1.37D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.74D-06    CP:  1.05D+00  1.04D+00  7.09D-01  9.85D-01  9.37D-01
 E= -686.792855013525     Delta-E=       -0.000000531468 Rises=F Damp=F
 DIIS: error= 7.60D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.792855013525     IErMin= 6 ErrMin= 7.60D-06
 ErrMax= 7.60D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.43D-08 BMatP= 5.43D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.794D-04-0.520D-02-0.365D-02 0.419D-01 0.379D+00 0.588D+00
 Coeff:     -0.794D-04-0.520D-02-0.365D-02 0.419D-01 0.379D+00 0.588D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.93D-06 MaxDP=6.32D-05 DE=-5.31D-07 OVMax= 4.38D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.40D-06    CP:  1.05D+00  1.04D+00  7.09D-01  9.90D-01  9.56D-01
                    CP:  7.91D-01
 E= -686.792855064181     Delta-E=       -0.000000050656 Rises=F Damp=F
 DIIS: error= 2.87D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.792855064181     IErMin= 7 ErrMin= 2.87D-06
 ErrMax= 2.87D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-08 BMatP= 7.43D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-03-0.438D-02-0.357D-02 0.281D-02 0.102D+00 0.329D+00
 Coeff-Com:  0.575D+00
 Coeff:      0.124D-03-0.438D-02-0.357D-02 0.281D-02 0.102D+00 0.329D+00
 Coeff:      0.575D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=5.98D-07 MaxDP=2.76D-05 DE=-5.07D-08 OVMax= 1.31D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.85D-07    CP:  1.05D+00  1.04D+00  7.09D-01  9.91D-01  9.62D-01
                    CP:  8.12D-01  8.87D-01
 E= -686.792855073704     Delta-E=       -0.000000009523 Rises=F Damp=F
 DIIS: error= 4.34D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.792855073704     IErMin= 8 ErrMin= 4.34D-07
 ErrMax= 4.34D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.73D-10 BMatP= 1.33D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.538D-04-0.157D-02-0.133D-02-0.990D-03 0.253D-01 0.116D+00
 Coeff-Com:  0.256D+00 0.606D+00
 Coeff:      0.538D-04-0.157D-02-0.133D-02-0.990D-03 0.253D-01 0.116D+00
 Coeff:      0.256D+00 0.606D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.67D-07 MaxDP=5.32D-06 DE=-9.52D-09 OVMax= 3.97D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.38D-07    CP:  1.05D+00  1.04D+00  7.09D-01  9.91D-01  9.61D-01
                    CP:  8.24D-01  8.84D-01  9.05D-01
 E= -686.792855074115     Delta-E=       -0.000000000412 Rises=F Damp=F
 DIIS: error= 1.49D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.792855074115     IErMin= 9 ErrMin= 1.49D-07
 ErrMax= 1.49D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.51D-11 BMatP= 4.73D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.776D-05-0.114D-03-0.122D-03-0.923D-03-0.264D-02 0.754D-02
 Coeff-Com:  0.376D-01 0.282D+00 0.677D+00
 Coeff:      0.776D-05-0.114D-03-0.122D-03-0.923D-03-0.264D-02 0.754D-02
 Coeff:      0.376D-01 0.282D+00 0.677D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=5.14D-08 MaxDP=1.51D-06 DE=-4.12D-10 OVMax= 1.21D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.10D-08    CP:  1.05D+00  1.04D+00  7.09D-01  9.91D-01  9.61D-01
                    CP:  8.27D-01  8.91D-01  9.18D-01  8.31D-01
 E= -686.792855074150     Delta-E=       -0.000000000034 Rises=F Damp=F
 DIIS: error= 4.25D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.792855074150     IErMin=10 ErrMin= 4.25D-08
 ErrMax= 4.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.39D-12 BMatP= 5.51D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-05 0.221D-04 0.760D-05-0.429D-03-0.266D-02-0.204D-02
 Coeff-Com:  0.614D-02 0.111D+00 0.339D+00 0.549D+00
 Coeff:      0.113D-05 0.221D-04 0.760D-05-0.429D-03-0.266D-02-0.204D-02
 Coeff:      0.614D-02 0.111D+00 0.339D+00 0.549D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.37D-08 MaxDP=4.20D-07 DE=-3.41D-11 OVMax= 3.31D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.85D-09    CP:  1.05D+00  1.04D+00  7.09D-01  9.91D-01  9.61D-01
                    CP:  8.26D-01  8.94D-01  9.24D-01  8.44D-01  8.77D-01
 E= -686.792855074170     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 1.66D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -686.792855074170     IErMin=11 ErrMin= 1.66D-08
 ErrMax= 1.66D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.20D-13 BMatP= 4.39D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.229D-06 0.237D-04 0.182D-04-0.118D-03-0.107D-02-0.196D-02
 Coeff-Com: -0.140D-02 0.241D-01 0.958D-01 0.309D+00 0.576D+00
 Coeff:     -0.229D-06 0.237D-04 0.182D-04-0.118D-03-0.107D-02-0.196D-02
 Coeff:     -0.140D-02 0.241D-01 0.958D-01 0.309D+00 0.576D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=4.59D-09 MaxDP=1.94D-07 DE=-2.02D-11 OVMax= 9.74D-08

 Error on total polarization charges =  0.01600
 SCF Done:  E(RB3LYP) =  -686.792855074     A.U. after   11 cycles
            NFock= 11  Conv=0.46D-08     -V/T= 2.0094
 KE= 6.804228009140D+02 PE=-3.263757770186D+03 EE= 1.068761118025D+03
 Leave Link  502 at Wed Mar 16 19:15:37 2022, MaxMem=  5368709120 cpu:             816.9 elap:             102.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.38454660D+02

 Leave Link  801 at Wed Mar 16 19:15:37 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=  78.3553, EpsInf=   1.7778)
 Inv3:  Mode=1 IEnd=     8537907.
 Iteration    1 A*A^-1 deviation from unit magnitude is 7.55D-15 for   1683.
 Iteration    1 A*A^-1 deviation from orthogonality  is 3.17D-15 for   1661    286.
 Iteration    1 A^-1*A deviation from unit magnitude is 7.55D-15 for   1683.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.94D-15 for   1687   1018.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7293 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 2.07D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 1.70D-01 5.07D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 4.26D-02 2.87D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 3.38D-03 9.88D-03.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 6.08D-04 3.37D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 2.09D-05 6.10D-04.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 3.60D-07 7.49D-05.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 8.09D-09 8.18D-06.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 1.65D-10 1.03D-06.
      9 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 2.34D-12 1.41D-07.
      2 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 2.80D-14 1.78D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.124416D+03
      2  0.135443D+01  0.113481D+03
      3 -0.407391D+00 -0.178096D+01  0.970543D+02
 Isotropic polarizability for W=    0.088559      111.65 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.317733D+02 -0.982979D+01 -0.194452D+02
      2  -0.258830D+02  0.103644D+02  0.147199D+02
      3  -0.589035D+01 -0.534596D+00  0.472530D+01
      4  -0.202217D+02 -0.748006D+01 -0.223744D+01
      5  -0.119862D+02 -0.369804D+01  0.100096D+02
      6  -0.892887D+00  0.132447D+02 -0.112412D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.137880D+01 -0.490738D+01  0.606978D+01
      2  -0.459957D+01 -0.489533D+00  0.545138D+01
      3  -0.711289D+01 -0.114005D+02  0.142167D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.146061D+01 -0.147516D+01  0.107066D+02
      2  -0.745899D+01 -0.134455D+01  0.158999D+02
      3  -0.103920D+02 -0.184029D+02  0.280516D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.100916D+00  0.125997D+01  0.300113D+00
      2   0.125997D+01 -0.314705D+00  0.117440D+01
      3   0.300113D+00  0.117440D+01 -0.232878D+00
 OR G Eigenvalues:    -1.7861    -0.3766     1.7161  Iso=     0.1489
 Eigenvectors:
   (1)  -0.428475   0.758630  -0.490806
   (2)  -0.681589   0.085222   0.726756
   (3)   0.593166   0.645924   0.480558
 w=    0.088559 a.u., Optical Rotation Beta=      0.1489 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       41.91 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 3.95D+01
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     191
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.31D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 3.83D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 1.74D-01 3.32D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 2.67D-03 6.34D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 3.58D-05 5.07D-04.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 3.65D-07 5.87D-05.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 1.23D-09 3.08D-06.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 4.25D-12 1.83D-07.
     13 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 1.07D-14 9.41D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   223 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.55D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.55D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.62D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124416D+03  0.135443D+01 -0.407391D+00
      2   0.135443D+01  0.113481D+03 -0.178096D+01
      3  -0.407391D+00 -0.178096D+01  0.970543D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.137880D+01 -0.490738D+01  0.606978D+01
      2  -0.459957D+01 -0.489533D+00  0.545138D+01
      3  -0.711289D+01 -0.114005D+02  0.142167D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.317733D+02 -0.982979D+01 -0.194452D+02
      2  -0.258830D+02  0.103644D+02  0.147199D+02
      3  -0.589035D+01 -0.534596D+00  0.472530D+01
      4  -0.202217D+02 -0.748006D+01 -0.223744D+01
      5  -0.119862D+02 -0.369804D+01  0.100096D+02
      6  -0.892887D+00  0.132447D+02 -0.112412D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.324732D+01  0.248089D+01 -0.886620D+00  0.165028D+01  0.260382D+01
      2   0.248089D+01  0.258151D+01  0.251021D+00  0.260382D+01 -0.469074D+01
      3  -0.886620D+00  0.251021D+00 -0.738121D+00  0.366929D+00 -0.136475D+01
                 6             7             8             9            10 
      1   0.366929D+00 -0.133047D+01  0.588365D+00 -0.493191D+00  0.417784D+01
      2  -0.136475D+01  0.588365D+00 -0.267750D+01 -0.975496D+00 -0.225790D+01
      3   0.832795D+00 -0.493191D+00 -0.975496D+00  0.112171D+02  0.133238D+01
                11            12            13            14            15 
      1  -0.225790D+01  0.133238D+01 -0.299366D+01 -0.252737D+01 -0.625635D+00
      2  -0.176343D+01 -0.327726D+00 -0.252737D+01  0.231432D+01  0.926844D+00
      3  -0.327726D+00 -0.127528D+01 -0.625635D+00  0.926844D+00  0.147861D+01
                16            17            18            19            20 
      1   0.253557D+01 -0.924991D+00  0.564631D+00  0.157877D+01 -0.281095D+01
      2  -0.924991D+00  0.147760D+01  0.529334D+00 -0.281095D+01 -0.242090D+01
      3   0.564631D+00  0.529334D+00 -0.113908D+02  0.100853D+01  0.203077D+00
                21            22            23            24            25 
      1   0.100853D+01 -0.420457D+01 -0.359631D+01  0.105722D+00  0.219174D+01
      2   0.203077D+00 -0.359631D+01  0.285618D+01  0.105445D+01  0.348750D+00
      3   0.111138D+01  0.105722D+00  0.105445D+01  0.163235D+01  0.107815D+00
                26            27            28            29            30 
      1   0.348750D+00  0.107815D+00  0.419100D+00  0.402831D+01 -0.117511D+01
      2   0.228223D+01  0.604190D+00  0.402831D+01  0.218606D+01 -0.804994D-01
      3   0.604190D+00 -0.107967D+02 -0.117511D+01 -0.804994D-01 -0.117271D+01
                31            32            33            34            35 
      1   0.439722D+01  0.335952D+01  0.118613D+00 -0.168104D+01  0.235107D+00
      2   0.335952D+01 -0.401731D+01 -0.105942D+01  0.235107D+00 -0.219316D+01
      3   0.118613D+00 -0.105942D+01 -0.953430D+00 -0.815675D+00  0.916818D-01
                36            37            38            39            40 
      1  -0.815675D+00  0.220944D+01 -0.371660D+01  0.565555D+00 -0.501566D+01
      2   0.916818D-01 -0.371660D+01 -0.507549D+00 -0.658821D+00 -0.116494D+01
      3   0.111324D+02  0.565555D+00 -0.658821D+00  0.905706D-01 -0.157954D+00
                41            42            43            44            45 
      1  -0.116494D+01 -0.157954D+00  0.352022D+01  0.236775D+00  0.219809D+00
      2  -0.411242D+01  0.117456D+01  0.236775D+00  0.172317D+01 -0.108317D+01
      3   0.117456D+01  0.905342D+00  0.219809D+00 -0.108317D+01 -0.139787D+01
                46            47            48            49            50 
      1  -0.443522D+01  0.925333D+00 -0.197657D+00  0.369032D+01  0.250830D+01
      2   0.925333D+00  0.215144D+01  0.119773D+01  0.250830D+01 -0.188009D+01
      3  -0.197657D+00  0.119773D+01 -0.518304D+00  0.127167D+00 -0.700197D+00
                51            52            53            54            55 
      1   0.127167D+00 -0.208743D+01  0.339135D+00  0.427003D+00  0.516143D+01
      2  -0.700197D+00  0.339135D+00 -0.217724D+01  0.302655D+00 -0.942779D+00
      3  -0.266431D+01  0.427003D+00  0.302655D+00  0.110629D+02  0.169288D+01
                56            57            58            59            60 
      1  -0.942779D+00  0.169288D+01 -0.444431D+00 -0.924919D-01 -0.308101D+00
      2   0.204191D+01 -0.229627D+00 -0.924919D-01  0.942031D+01  0.154038D+01
      3  -0.229627D+00  0.117931D+01 -0.308101D+00  0.154038D+01 -0.752337D+00
                61            62            63            64            65 
      1   0.248830D+01 -0.114372D+01  0.174558D-01  0.566962D+00 -0.435191D+00
      2  -0.114372D+01  0.382149D+01  0.200117D+01 -0.435191D+00 -0.427827D+00
      3   0.174558D-01  0.200117D+01  0.205069D+00 -0.109875D+01 -0.289252D-01
                66            67            68            69            70 
      1  -0.109875D+01 -0.191943D+00 -0.409092D+00  0.177497D-02 -0.207185D+01
      2  -0.289252D-01 -0.409092D+00  0.953374D+00 -0.124041D+01  0.115664D+00
      3   0.288960D+00  0.177497D-02 -0.124041D+01  0.509359D+00 -0.624261D-02
                71            72            73            74            75 
      1   0.115664D+00 -0.624261D-02 -0.494784D+01  0.401566D+01 -0.128243D+01
      2  -0.222521D+01  0.103659D+01  0.401566D+01  0.116822D+01 -0.166577D+00
      3   0.103659D+01 -0.962854D+01 -0.128243D+01 -0.166577D+00  0.143727D+01
                76            77            78            79            80 
      1   0.748106D+01 -0.416060D+00  0.283704D+00 -0.365730D+01  0.247178D+00
      2  -0.416060D+00  0.410344D+01 -0.117851D+01  0.247178D+00 -0.141334D+01
      3   0.283704D+00 -0.117851D+01  0.583308D+00 -0.180681D+01  0.578332D+00
                81            82            83            84            85 
      1  -0.180681D+01 -0.835749D+00  0.436306D+00  0.123752D+01  0.402413D+00
      2   0.578332D+00  0.436306D+00  0.314709D+00  0.521243D-01  0.362842D+00
      3  -0.180068D+00  0.123752D+01  0.521243D-01 -0.364930D+00  0.643060D-01
                86            87            88            89            90 
      1   0.362842D+00  0.643060D-01  0.231520D+01  0.141298D+00 -0.900410D+00
      2  -0.543069D+00  0.118073D+01  0.141298D+00  0.187752D+01 -0.291607D+00
      3   0.118073D+01 -0.581522D+00 -0.900410D+00 -0.291607D+00  0.975864D+01
                91            92            93            94            95 
      1  -0.335992D+00  0.289830D+00  0.118510D+01  0.430307D+00  0.554716D+00
      2   0.289830D+00  0.565684D+00  0.496617D-01  0.554716D+00 -0.487349D+00
      3   0.118510D+01  0.496617D-01 -0.486230D-01  0.754534D-01  0.104441D+01
                96            97            98            99           100 
      1   0.754534D-01  0.218432D+01 -0.132776D-01  0.328331D+00  0.717281D+01
      2   0.104441D+01 -0.132776D-01  0.203225D+01  0.167542D+00  0.252683D+01
      3  -0.352526D+00  0.328331D+00  0.167542D+00  0.952036D+01 -0.922243D+00
               101           102           103           104           105 
      1   0.252683D+01 -0.922243D+00  0.885066D+00  0.390950D+01  0.280837D+00
      2   0.426437D+01  0.295652D+00  0.390950D+01 -0.337931D+01 -0.126341D+01
      3   0.295652D+00 -0.455003D+00  0.280837D+00 -0.126341D+01 -0.141308D+01
               106           107           108           109           110 
      1  -0.219574D+01 -0.507229D+00  0.139920D+01  0.887328D+00 -0.345730D+01
      2  -0.507229D+00 -0.266338D+01  0.735780D+00 -0.345730D+01  0.665308D+00
      3   0.139920D+01  0.735780D+00 -0.226238D-01  0.204039D+01 -0.515474D+00
               111           112           113           114           115 
      1   0.204039D+01 -0.360714D+01 -0.224561D+01  0.998739D-01  0.366278D+01
      2  -0.515474D+00 -0.224561D+01  0.870820D+01  0.156304D+01  0.336943D-01
      3   0.142041D+01  0.998739D-01  0.156304D+01 -0.527248D+00 -0.372485D+00
               116           117           118           119           120 
      1   0.336943D-01 -0.372485D+00  0.101381D+01 -0.677148D+00 -0.128922D+01
      2   0.179757D+01  0.111623D+01 -0.677148D+00 -0.125406D+00 -0.606246D-01
      3   0.111623D+01 -0.101112D+02 -0.128922D+01 -0.606246D-01  0.891574D+00
               121           122           123           124           125 
      1  -0.765799D+00 -0.149380D+00 -0.117573D+00 -0.287100D+01 -0.185805D+00
      2  -0.149380D+00  0.327208D+00 -0.111325D+01 -0.185805D+00 -0.163010D+01
      3  -0.117573D+00 -0.111325D+01 -0.852632D-01  0.124060D+01 -0.521837D+00
               126           127           128           129           130 
      1   0.124060D+01 -0.497858D+01 -0.296985D+01  0.206358D+00 -0.312599D+01
      2  -0.521837D+00 -0.296985D+01 -0.307884D+01 -0.713833D-01 -0.325924D+01
      3  -0.964782D+01  0.206358D+00 -0.713833D-01  0.147706D+00 -0.453103D+00
               131           132           133           134           135 
      1  -0.325924D+01 -0.453103D+00 -0.697706D+00 -0.865339D+00 -0.168677D+00
      2  -0.619390D+01 -0.542040D+00 -0.865339D+00 -0.202386D+01  0.994990D+00
      3  -0.542040D+00  0.181339D+01 -0.168677D+00  0.994990D+00 -0.666531D+01
               136           137           138           139           140 
      1  -0.128711D-01 -0.416440D+00 -0.140277D+01 -0.546670D+00 -0.663552D+00
      2  -0.416440D+00 -0.529831D+00 -0.143332D+00 -0.663552D+00 -0.311221D+00
      3  -0.140277D+01 -0.143332D+00 -0.310717D+00  0.834428D-01 -0.108975D+01
               141           142           143           144           145 
      1   0.834428D-01 -0.264955D+01 -0.378580D+00 -0.121454D+01 -0.662018D+01
      2  -0.108975D+01 -0.378580D+00 -0.170634D+01 -0.138940D+01  0.342901D+01
      3  -0.220623D+00 -0.121454D+01 -0.138940D+01 -0.985375D+01 -0.694686D+00
               146           147           148           149           150 
      1   0.342901D+01 -0.694686D+00  0.262990D+01 -0.197493D+01  0.138904D+00
      2  -0.428109D+01  0.101600D+00 -0.197493D+01  0.266054D+01 -0.232475D+00
      3   0.101600D+00 -0.143404D+01  0.138904D+00 -0.232475D+00  0.975371D+00
               151           152           153           154           155 
      1  -0.152335D+01  0.711788D+00 -0.702183D+00 -0.728194D+01 -0.236520D+01
      2   0.711788D+00 -0.106506D+01  0.585452D+00 -0.236520D+01 -0.256597D+01
      3  -0.702183D+00  0.585452D+00 -0.135980D+00 -0.152617D-01  0.802880D-01
               156           157           158           159           160 
      1  -0.152617D-01 -0.530831D+01 -0.203750D+01 -0.118944D+00  0.902605D+00
      2   0.802880D-01 -0.203750D+01 -0.296171D+01  0.300180D+00  0.256923D+00
      3  -0.142152D+01 -0.118944D+00  0.300180D+00 -0.813631D+00 -0.717756D+00
               161           162           163           164           165 
      1   0.256923D+00 -0.717756D+00 -0.669387D+00  0.633024D+00  0.232637D+00
      2   0.475834D+00 -0.214911D+00  0.633024D+00 -0.127222D+01 -0.119174D+00
      3  -0.214911D+00 -0.867613D-01  0.232637D+00 -0.119174D+00  0.139371D+00
               166           167           168           169           170 
      1   0.276880D+01  0.483222D+00 -0.170777D+00  0.630798D+00 -0.770890D-01
      2   0.483222D+00  0.955022D+01  0.637708D+00 -0.770890D-01  0.155140D+01
      3  -0.170777D+00  0.637708D+00  0.158517D+01  0.109330D+00  0.812003D+00
               171           172           173           174           175 
      1   0.109330D+00  0.983070D+01  0.104083D+01 -0.162039D+01 -0.439318D-01
      2   0.812003D+00  0.104083D+01  0.998375D+00  0.270021D+00  0.321265D+01
      3   0.142491D+00 -0.162039D+01  0.270021D+00 -0.109193D+00  0.223685D+00
               176           177           178           179           180 
      1   0.321265D+01  0.223685D+00 -0.333164D+01 -0.248150D+00  0.212215D+01
      2  -0.583407D+01 -0.637435D+00 -0.248150D+00 -0.735600D+00  0.834562D-01
      3  -0.637435D+00 -0.120683D+01  0.212215D+01  0.834562D-01 -0.645671D+00
               181           182           183           184           185 
      1   0.660420D+00 -0.118817D+01 -0.639054D+00 -0.256464D+01  0.249623D+01
      2  -0.118817D+01  0.607307D+00  0.114285D+00  0.249623D+01 -0.110279D+02
      3  -0.639054D+00  0.114285D+00  0.243183D+00  0.117661D+00 -0.896103D+00
               186           187           188           189           190 
      1   0.117661D+00 -0.135013D+01  0.428367D+00  0.485319D+00  0.449119D-01
      2  -0.896103D+00  0.428367D+00 -0.194625D+01 -0.135702D+01  0.345593D+00
      3  -0.114941D+01  0.485319D+00 -0.135702D+01  0.213481D+00  0.125892D+01
               191           192           193           194           195 
      1   0.345593D+00  0.125892D+01  0.983155D+00  0.238546D+00 -0.156373D-01
      2   0.111918D-01  0.599317D-01  0.238546D+00 -0.906797D+00  0.102613D+01
      3   0.599317D-01 -0.185109D+00 -0.156373D-01  0.102613D+01  0.569096D+00
               196           197           198           199           200 
      1   0.237486D+01 -0.197999D+00  0.102432D+01 -0.428116D+00 -0.224881D+00
      2  -0.197999D+00  0.163676D+01 -0.128023D+01 -0.224881D+00 -0.887626D-01
      3   0.102432D+01 -0.128023D+01  0.105356D+02  0.376661D+00 -0.144543D+00
               201           202           203           204           205 
      1   0.376661D+00 -0.564377D+00 -0.320552D+00  0.247022D+00  0.235069D+01
      2  -0.144543D+00 -0.320552D+00 -0.146525D+01  0.931273D+00  0.107063D+01
      3   0.401035D+00  0.247022D+00  0.931273D+00 -0.153423D+01 -0.116317D+01
               206           207           208           209           210 
      1   0.107063D+01 -0.116317D+01  0.696829D-01  0.131080D+01  0.872636D-01
      2   0.340856D+01 -0.277969D+01  0.131080D+01 -0.494261D+00 -0.128687D+00
      3  -0.277969D+01  0.702254D+01  0.872636D-01 -0.128687D+00  0.682782D+00
               211           212           213           214           215 
      1   0.405859D+01 -0.872334D+00 -0.367369D+00  0.290099D+00 -0.211502D+00
      2  -0.872334D+00  0.691739D+01 -0.619562D-01 -0.211502D+00  0.372650D+00
      3  -0.367369D+00 -0.619562D-01  0.136964D+01  0.315172D+00  0.253950D+00
               216 
      1   0.315172D+00
      2   0.253950D+00
      3  -0.247429D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.107763D+01  0.160601D+00 -0.565047D+00 -0.155555D+01  0.210511D+01
      2   0.970818D+00 -0.106414D+00  0.161335D+01  0.832196D+00  0.176473D+01
      3  -0.132318D+01  0.404454D+00 -0.820213D+00  0.568773D+01 -0.132646D+01
                 6             7             8             9            10 
      1   0.125365D+01  0.639857D+00  0.402330D+01 -0.100043D+02 -0.700728D+00
      2   0.255941D+00 -0.256245D+01  0.245746D-01 -0.646446D+01 -0.244537D+01
      3  -0.188144D+00 -0.817492D+00 -0.189692D+01 -0.115838D+01 -0.301291D+01
                11            12            13            14            15 
      1  -0.234787D+01 -0.887227D+00 -0.151877D+00 -0.162917D+01 -0.241258D+01
      2  -0.330037D+00 -0.144215D-01  0.455741D+00 -0.142362D+01 -0.201976D+01
      3  -0.502912D+01 -0.202349D+00  0.109393D+01  0.268875D+01  0.240386D+01
                16            17            18            19            20 
      1  -0.113094D+01  0.229450D+01 -0.993677D+00 -0.178112D+01  0.889631D-01
      2  -0.377844D+01 -0.109934D+01  0.149494D+02 -0.291172D+00  0.122342D+01
      3  -0.959927D+00  0.214945D+01  0.932803D+00  0.219149D+01 -0.397387D+01
                21            22            23            24            25 
      1   0.101571D+01 -0.118268D+01 -0.136481D+01 -0.866995D+00  0.647522D+00
      2  -0.136778D+00  0.382072D+00  0.101561D+01 -0.426561D+00 -0.414225D+01
      3   0.185695D+00  0.229217D+01 -0.398911D+01 -0.156973D+01  0.209502D+01
                26            27            28            29            30 
      1   0.206278D+01  0.626688D+01 -0.169211D+01  0.673488D+00  0.138728D+01
      2   0.294536D+00 -0.572999D+01 -0.197932D+01  0.103845D+01 -0.265708D+01
      3  -0.106350D+01 -0.477085D+00 -0.715706D+01 -0.898044D+01  0.304542D+00
                31            32            33            34            35 
      1  -0.634317D+00  0.110223D+00 -0.191738D+00 -0.853983D-01  0.327539D+01
      2  -0.711314D+00 -0.975697D+00 -0.336109D+01 -0.538452D+01  0.756659D+00
      3  -0.519611D+01  0.635076D+01  0.195390D+01  0.817104D+00  0.950884D+00
                36            37            38            39            40 
      1   0.473806D+01  0.209353D+01 -0.251584D+00 -0.131932D+01  0.436418D+00
      2   0.164816D+02  0.843210D+00  0.184059D+00  0.123935D+02 -0.180694D+00
      3   0.564587D+00 -0.343239D+01 -0.214681D+01 -0.153321D+01  0.197425D+02
                41            42            43            44            45 
      1   0.856789D+00 -0.534699D+01  0.194185D+01  0.272123D+01  0.457041D+00
      2  -0.139632D+00  0.719677D+00 -0.768423D+01 -0.154591D+01  0.130924D+01
      3   0.228430D+01  0.628138D-01 -0.512086D+01 -0.596119D+00 -0.280517D+00
                46            47            48            49            50 
      1  -0.294146D+00  0.191219D+00 -0.511524D+00 -0.113544D+01  0.112938D+00
      2   0.134521D+01  0.234880D+00 -0.527837D+01 -0.182902D+00  0.207948D+01
      3   0.787795D+01  0.524139D+01  0.691670D+00 -0.724383D+00 -0.157865D+01
                51            52            53            54            55 
      1  -0.351173D+00 -0.169554D+01  0.307465D+01  0.100227D+02 -0.472502D+01
      2   0.356506D+01 -0.424906D+01 -0.151382D+01 -0.168265D+02 -0.394963D+01
      3  -0.185823D+01  0.226529D+01 -0.259446D+01 -0.437747D+00  0.170562D+02
                56            57            58            59            60 
      1   0.173460D+01 -0.183303D+01  0.223311D+01 -0.404586D+01 -0.680088D+01
      2   0.296720D+01  0.136075D+01  0.763416D+00 -0.228182D+01 -0.262527D+00
      3  -0.577368D+01  0.304695D+01  0.452653D+01  0.984833D+01  0.184238D+00
                61            62            63            64            65 
      1  -0.109934D+01  0.120586D+01 -0.341322D+01  0.133488D+01 -0.443387D-02
      2  -0.517589D+01 -0.311377D+00 -0.121399D+01  0.101097D+01 -0.485548D+00
      3   0.669500D+01  0.183226D+01  0.190081D+01  0.373184D+00 -0.174413D+01
                66            67            68            69            70 
      1  -0.492370D+00  0.892896D-01  0.156936D+01 -0.741824D+00 -0.278978D+00
      2   0.106301D+01 -0.338789D+00  0.541085D+00 -0.406246D-01 -0.444153D+01
      3  -0.124204D+01  0.663747D+00  0.202850D+00 -0.786917D+00 -0.268012D+01
                71            72            73            74            75 
      1   0.399441D+01  0.107938D+02 -0.106157D+01  0.147774D+00  0.150857D+01
      2  -0.478842D+00  0.622043D+01  0.563324D+01  0.157490D+01  0.484679D+01
      3  -0.121370D+01  0.946575D+00  0.122224D+02 -0.339736D+00 -0.425891D+00
                76            77            78            79            80 
      1  -0.219480D+01 -0.686108D+00 -0.299663D+01  0.157985D+01  0.388263D+01
      2   0.141466D+01  0.322987D+01 -0.400036D+01 -0.114119D+01 -0.185961D+01
      3   0.843531D+01  0.182333D+02 -0.233673D+01 -0.324750D+00 -0.574340D+01
                81            82            83            84            85 
      1   0.642738D+00  0.121081D+00  0.293292D+00 -0.185060D-01  0.581147D+00
      2   0.297568D+01 -0.218667D+01 -0.127750D+00  0.878590D+00  0.818382D-01
      3   0.108418D+01  0.750433D+00 -0.475953D+00  0.112771D+00  0.166448D+01
                86            87            88            89            90 
      1  -0.425991D+00 -0.162348D+01  0.287909D+00  0.447896D+01 -0.996771D+00
      2  -0.202797D+01  0.101782D+01 -0.358873D+01  0.374368D+00 -0.151249D+02
      3  -0.575643D+00  0.156294D+01  0.316935D+00  0.332008D+01  0.672443D-01
                91            92            93            94            95 
      1  -0.928531D+00  0.214454D+00  0.478119D+00  0.188654D+00 -0.129427D+01
      2   0.160040D+01  0.202036D+00  0.359074D+00  0.539524D+00  0.319794D+00
      3  -0.335295D+00 -0.112433D+01  0.862312D+00  0.118126D+01  0.223818D+00
                96            97            98            99           100 
      1  -0.652163D+00 -0.468319D+00  0.464146D+01 -0.720578D+01  0.222215D+01
      2  -0.637752D+00 -0.498060D+01  0.398158D+00  0.580588D+01 -0.179013D+01
      3  -0.477704D+00  0.135898D+01 -0.133781D+01 -0.655691D-01  0.100196D+02
               101           102           103           104           105 
      1  -0.309220D+00 -0.236187D+01  0.910729D+00  0.483919D+01 -0.279996D+01
      2  -0.725826D+00  0.607661D+01  0.541620D+00 -0.210271D+01  0.957533D+00
      3  -0.121054D+02 -0.153162D+01 -0.185755D+01  0.147520D+02  0.280938D+01
               106           107           108           109           110 
      1  -0.202407D+01  0.409062D+01  0.201796D+01  0.164525D+01 -0.131532D+00
      2  -0.175975D+01  0.106992D+01 -0.162789D+01  0.290961D+01 -0.478481D+00
      3  -0.459347D+01  0.475186D+01  0.838955D+00  0.382671D+01  0.382694D+01
               111           112           113           114           115 
      1   0.228124D+01 -0.181288D+01  0.849240D+01 -0.128355D+01 -0.158580D+01
      2   0.637705D+00  0.271474D+00  0.362205D+01 -0.309936D+01 -0.490465D+01
      3  -0.118779D+01  0.125577D+02 -0.165458D+02 -0.362362D+01 -0.338848D+01
               116           117           118           119           120 
      1   0.316068D+01 -0.152128D+02 -0.506642D+00  0.963449D-01  0.718312D+00
      2   0.286235D+01 -0.207505D+02 -0.120030D+01 -0.440439D+00  0.212090D+01
      3  -0.462849D+01 -0.241165D+01  0.538719D+00 -0.171856D+00  0.111099D+01
               121           122           123           124           125 
      1  -0.752251D-01 -0.113376D+01 -0.818567D+00  0.455874D+00  0.403171D+01
      2   0.206338D-01 -0.142267D+01  0.417249D-01 -0.407536D+01 -0.542334D+00
      3   0.223331D+01 -0.113115D+01  0.156955D+01  0.233966D+01  0.277793D+01
               126           127           128           129           130 
      1  -0.466907D+01  0.141799D+00 -0.486480D+00 -0.221376D+01  0.425213D+00
      2  -0.123783D+02 -0.499654D+00 -0.159608D+01  0.668273D+01  0.602986D+00
      3  -0.496580D+00  0.635427D+01 -0.717101D+01  0.709800D+00  0.689269D+01
               131           132           133           134           135 
      1   0.135258D+00 -0.370619D+01  0.173280D+01  0.575422D+01 -0.153976D+02
      2   0.765406D+00 -0.126106D+01 -0.143700D+01 -0.334804D+01  0.135872D+02
      3  -0.657697D+01 -0.624035D+00  0.362141D+00 -0.115772D+01  0.285566D+01
               136           137           138           139           140 
      1  -0.156532D+01  0.554721D-01 -0.417621D+00  0.791640D+00 -0.140032D+01
      2   0.213675D+01 -0.648387D-02  0.108427D+01  0.224871D+00  0.114541D+01
      3  -0.644784D+00 -0.156057D+01  0.200163D+01  0.769342D+00  0.109043D+01
               141           142           143           144           145 
      1  -0.742045D+00 -0.838466D+00  0.345577D+01 -0.103414D+02  0.367059D+01
      2  -0.183813D+00 -0.374421D+01  0.148868D+01  0.137875D+02  0.361593D+01
      3  -0.156692D+01  0.362492D+01 -0.209659D+01  0.878107D+00 -0.173365D+02
               146           147           148           149           150 
      1  -0.161150D+01  0.421419D+01 -0.108624D+01  0.128283D+01 -0.219445D+01
      2  -0.194013D+01  0.307513D+01 -0.139437D+01  0.107447D+01 -0.166696D+01
      3   0.252968D+01 -0.229902D+01  0.509962D+01 -0.271874D+01  0.164388D+00
               151           152           153           154           155 
      1   0.220946D+01 -0.892530D+00  0.667004D+00  0.146652D+01  0.957910D+00
      2   0.913652D+00 -0.114717D+01  0.626286D+00 -0.261687D+01 -0.148719D+01
      3  -0.442782D+01  0.410113D+00 -0.127457D+01 -0.109297D+02 -0.106694D+02
               156           157           158           159           160 
      1  -0.363617D+00  0.124956D+01  0.997679D+00 -0.396662D+00 -0.238196D+00
      2   0.465449D+01 -0.200444D+01 -0.199902D+01  0.330442D+01  0.159037D+01
      3   0.268864D+00 -0.835999D+01 -0.143133D+02  0.114092D+01  0.102794D+01
               161           162           163           164           165 
      1   0.732901D+00  0.267933D+00 -0.488790D+00  0.720945D+00  0.273628D+00
      2   0.993853D+00  0.236643D-01  0.549158D+00 -0.331963D+00 -0.264512D+00
      3   0.249816D+01 -0.885383D+00 -0.503997D+01  0.505978D+01  0.107385D+01
               166           167           168           169           170 
      1   0.578190D+00 -0.337326D+01 -0.425066D+01 -0.126161D+00 -0.139215D+01
      2  -0.500456D+00  0.863451D+00  0.209175D+01 -0.867222D+00  0.123112D+01
      3   0.788920D+01 -0.200447D+02 -0.205305D+01  0.232308D+01 -0.375193D+01
               171           172           173           174           175 
      1  -0.593453D+00 -0.115829D+01 -0.999913D+00 -0.190833D+01  0.105213D+01
      2   0.184961D+00 -0.414277D+01 -0.846819D+00  0.853845D+01  0.558690D+00
      3  -0.120446D+01 -0.975150D+01 -0.144820D+02  0.157460D+01 -0.924839D+01
               176           177           178           179           180 
      1   0.193657D+01 -0.413690D+01  0.231779D+01  0.459580D+01  0.506209D+00
      2  -0.163285D+01 -0.189644D+01  0.179030D+01  0.164131D+00 -0.407426D+01
      3   0.238819D+02  0.111004D+01  0.213942D+01  0.434744D+01 -0.222184D+01
               181           182           183           184           185 
      1  -0.162437D+01  0.554067D+00  0.755073D+00  0.100323D+01 -0.571638D+01
      2  -0.151201D+01  0.617800D+00  0.161601D+01  0.541512D+00 -0.226644D+01
      3   0.217486D+01 -0.949961D+00  0.712028D+00  0.112781D+01  0.231013D+02
               186           187           188           189           190 
      1  -0.505511D+01  0.106252D+01 -0.183799D+01 -0.398688D+00  0.216487D+01
      2  -0.307150D+01  0.541120D+00 -0.320113D+01  0.342243D+00  0.372713D+01
      3   0.209411D+01  0.202764D+01  0.383709D+01  0.251623D+01 -0.128942D+00
               191           192           193           194           195 
      1  -0.185485D-01 -0.109962D+00 -0.730428D-01  0.102481D+01  0.686293D+00
      2  -0.128304D+00  0.884487D-01 -0.894866D+00  0.266069D+01  0.127706D+01
      3  -0.148152D+01 -0.168862D+01 -0.109159D+01  0.156436D+01 -0.219330D+01
               196           197           198           199           200 
      1   0.837824D+00  0.299493D+01  0.143732D+02  0.875885D+00  0.677934D-02
      2  -0.300340D+01 -0.268892D+01  0.243080D+02 -0.191749D+01  0.347582D-01
      3  -0.276488D+01 -0.373833D+01  0.242986D+01 -0.289693D+00  0.151022D+00
               201           202           203           204           205 
      1   0.114047D+01  0.441031D+00  0.229611D+01 -0.348405D+01 -0.289805D+01
      2  -0.101752D+01 -0.690185D+00 -0.219352D+01  0.334861D+01  0.798740D-01
      3  -0.121958D+01  0.770683D+00 -0.204696D+01  0.150445D+01 -0.339950D+01
               206           207           208           209           210 
      1  -0.442449D+01  0.175902D+02 -0.287557D+00  0.265172D+00 -0.770416D+00
      2   0.617526D+01 -0.153832D+02 -0.150445D-01  0.643806D-01  0.805990D+00
      3   0.447688D+01 -0.337822D+01 -0.468041D+01  0.422294D+01  0.385864D+00
               211           212           213           214           215 
      1   0.125740D+00 -0.379973D+01  0.385481D+00 -0.567491D+00  0.818921D+00
      2  -0.333226D+00 -0.616120D+00  0.534820D+01 -0.206335D+00  0.122475D+01
      3   0.606145D+01 -0.326966D+02  0.515578D+00  0.108418D+01 -0.153318D+01
               216 
      1  -0.808238D-02
      2  -0.825867D+00
      3  -0.723006D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.182627D+01 -0.853528D+01 -0.223327D+00 -0.531843D+01  0.139934D+02
      2   0.257752D+01  0.118276D+02 -0.104072D+01  0.699693D+01 -0.267038D+02
      3  -0.440380D+01 -0.329231D+01  0.126405D+01 -0.167850D+01  0.127105D+02
      4  -0.406006D+01 -0.206076D+01 -0.914135D+00 -0.100818D+02  0.110685D+02
      5   0.189744D+01 -0.132149D+01 -0.397277D+00 -0.383400D+01  0.160005D+01
      6   0.776893D+00  0.189594D+01  0.142150D+01  0.277150D+01 -0.729577D+01
                 6             7             8             9            10 
      1   0.274518D+01  0.184487D+01  0.445790D+01  0.118426D+02 -0.235023D+02
      2  -0.445875D+00 -0.525596D+00 -0.116165D+02  0.619841D+01  0.115785D+02
      3  -0.229931D+01 -0.131927D+01  0.715859D+01 -0.180410D+02  0.119238D+02
      4   0.240254D+01 -0.267663D+01  0.381527D+01  0.320653D+00  0.119817D+02
      5   0.111571D+01  0.965913D+00  0.145605D+01 -0.138063D+02 -0.783753D+01
      6  -0.100765D+02 -0.218709D+00 -0.365960D+01  0.262661D+02  0.369914D+00
                11            12            13            14            15 
      1   0.530860D+01 -0.842832D+00  0.114385D+02  0.775710D+01  0.111208D+01
      2  -0.477976D+00  0.427252D+01 -0.698167D+01 -0.204016D+01 -0.183713D+01
      3  -0.483062D+01 -0.342969D+01 -0.445687D+01 -0.571694D+01  0.725045D+00
      4  -0.476804D+01  0.112251D+01  0.638245D+01 -0.630170D+01 -0.245943D+01
      5   0.114938D+01 -0.631311D+01  0.320988D+01 -0.696431D+00 -0.356014D+01
      6  -0.255116D+01  0.259822D+01 -0.145600D+01  0.573812D+00  0.984023D+00
                16            17            18            19            20 
      1  -0.126141D+02  0.248317D+01  0.789826D+01 -0.798980D+01  0.157981D+01
      2   0.440972D+01 -0.239651D+01  0.990872D+01  0.117211D+01 -0.809608D+01
      3   0.820433D+01 -0.866579D-01 -0.178070D+02  0.681769D+01  0.651627D+01
      4   0.615054D+01 -0.442515D+01 -0.238523D+01 -0.768578D+01 -0.111473D+02
      5  -0.246500D+01 -0.212380D+01  0.375181D+02  0.299615D+01  0.145033D+01
      6   0.468253D+00  0.641269D-01  0.103344D+01 -0.369650D+00  0.183443D+01
                21            22            23            24            25 
      1  -0.148631D+01 -0.824038D+01 -0.397178D+01 -0.285670D+01  0.319409D+01
      2  -0.224866D+01  0.123580D+01  0.242571D+01 -0.505758D-01  0.821607D+00
      3   0.373498D+01  0.700458D+01  0.154607D+01  0.290728D+01 -0.401570D+01
      4   0.483017D+00 -0.128359D+02 -0.335206D+01 -0.131377D+00  0.441420D+01
      5  -0.565492D+01  0.221218D+01  0.341376D+00 -0.171808D+01  0.106802D+00
      6  -0.307892D+01  0.371823D-01  0.351442D+01 -0.248084D+01 -0.417124D+00
                26            27            28            29            30 
      1   0.497155D-01  0.927640D+01 -0.119243D+02  0.127181D+02 -0.563029D+01
      2   0.166882D+01  0.121145D+02  0.502273D+01 -0.105186D+02  0.287683D+00
      3  -0.171853D+01 -0.213909D+02  0.690158D+01 -0.219950D+01  0.534260D+01
      4   0.457379D+01  0.754856D+00 -0.242083D+01 -0.909252D+01  0.293768D+01
      5   0.370000D+00 -0.139496D+02 -0.476688D+01  0.156438D+01 -0.108666D+02
      6   0.247614D+01 -0.154623D+02  0.426395D+01 -0.506922D+00 -0.437882D+00
                31            32            33            34            35 
      1   0.811911D+01  0.644351D+01 -0.401973D+01 -0.347188D+01 -0.872412D+00
      2  -0.529102D+01 -0.604043D+01  0.179597D-02 -0.221949D+01  0.236352D+01
      3  -0.282809D+01 -0.403081D+00  0.401794D+01  0.569138D+01 -0.149111D+01
      4  -0.855177D+01 -0.168031D+02 -0.180211D+01  0.180513D+01 -0.250199D+01
      5   0.520722D-01 -0.704266D+00 -0.621918D+01 -0.445265D+01  0.153290D+00
      6  -0.682660D+00  0.181782D+01 -0.374954D+01  0.843643D+00 -0.120888D+01
                36            37            38            39            40 
      1   0.902488D+01  0.461226D+01 -0.273413D+01 -0.105126D+01  0.590716D+00
      2   0.928035D+01 -0.123423D+01  0.285379D+01 -0.170650D+00  0.467148D+00
      3  -0.183052D+02 -0.337804D+01 -0.119658D+00  0.122191D+01 -0.105786D+01
      4   0.735702D+00 -0.147967D+01  0.211139D+02 -0.165671D+01  0.171603D+02
      5   0.316042D+02  0.187618D+01 -0.625447D-01  0.239519D+02 -0.175768D+01
      6  -0.116645D+02 -0.176412D+01  0.218974D+01  0.305469D+01 -0.510048D+00
                41            42            43            44            45 
      1  -0.187293D+02  0.474031D+01  0.141209D+01  0.394765D+01 -0.946376D+01
      2   0.253979D+02 -0.130264D+01 -0.220740D+01 -0.441217D+01 -0.226741D+01
      3  -0.666863D+01 -0.343767D+01  0.795313D+00  0.464515D+00  0.117312D+02
      4   0.334852D+01 -0.454272D+00 -0.765943D+01  0.997863D-01 -0.137836D+01
      5  -0.974945D+00  0.240643D+01  0.669691D+01 -0.204169D+00  0.234294D+01
      6  -0.420350D+01  0.760688D+01 -0.786544D+00  0.912093D+01  0.255892D+00
                46            47            48            49            50 
      1  -0.134285D+02  0.226015D+01  0.579482D+01 -0.994157D+01 -0.159351D+01
      2   0.755544D+01 -0.865860D+01 -0.199368D+01  0.128889D+00 -0.778631D+01
      3   0.587302D+01  0.639845D+01 -0.380114D+01  0.981268D+01  0.937982D+01
      4   0.108614D+01 -0.259079D+02 -0.186160D+01 -0.222366D+02 -0.463506D+01
      5   0.696833D+00 -0.115279D+01 -0.147218D+02  0.197542D+01  0.946773D+00
      6  -0.879230D+00 -0.331315D+01 -0.260616D+01  0.750117D+00  0.153090D+01
                51            52            53            54            55 
      1  -0.144795D+01  0.573950D+01 -0.240921D+01  0.125731D+02 -0.425375D+01
      2  -0.155259D+01  0.112979D+01  0.946421D+01  0.123614D+02 -0.381928D+01
      3   0.300055D+01 -0.686929D+01 -0.705500D+01 -0.249344D+02  0.807303D+01
      4   0.203381D+01  0.325238D+01  0.320731D+01  0.372844D+00  0.243623D+02
      5   0.485976D+01 -0.465250D+01 -0.110203D+01 -0.326155D+02 -0.316953D+01
      6  -0.397488D+01 -0.499116D+00 -0.198252D+01 -0.266448D+02  0.775768D+01
                56            57            58            59            60 
      1   0.107017D+01 -0.280112D+01  0.351151D+01 -0.374587D+02 -0.669177D+01
      2   0.456409D+01  0.115396D+01 -0.188790D+01  0.570750D+02  0.490699D+01
      3  -0.563426D+01  0.164717D+01 -0.162361D+01 -0.196164D+02  0.178478D+01
      4  -0.413319D+01  0.678050D+01  0.444370D+01 -0.166367D+02 -0.432322D+01
      5   0.126883D+01  0.530726D+01  0.203765D+01 -0.307179D+01 -0.134573D+01
      6  -0.253661D+01  0.221550D+01 -0.287168D+01  0.119784D+02  0.143032D+02
                61            62            63            64            65 
      1  -0.253468D+01 -0.100850D+02 -0.116167D+02  0.635671D-01  0.817401D+00
      2  -0.175619D+01  0.172523D+02  0.335984D+01 -0.370833D+01 -0.980361D+00
      3   0.429087D+01 -0.716726D+01  0.825684D+01  0.364476D+01  0.162959D+00
      4   0.124568D+02 -0.111635D+02 -0.242341D+01  0.104790D+01  0.243940D+01
      5   0.521654D+01 -0.423990D+01 -0.304594D+01  0.122327D+01 -0.844827D+00
      6  -0.244708D+00  0.170813D+02  0.725841D+01 -0.350349D+01 -0.624091D+00
                66            67            68            69            70 
      1   0.186723D+01  0.638054D+00 -0.488304D+01  0.324000D+01  0.237610D+01
      2  -0.634135D+00 -0.899661D+00  0.347397D+01 -0.377489D+01 -0.603652D+00
      3  -0.123310D+01  0.261607D+00  0.140907D+01  0.534890D+00 -0.177244D+01
      4  -0.284464D+01  0.245767D+01 -0.163709D+01  0.152330D+01 -0.406798D+01
      5   0.712540D+01  0.589344D-01  0.133820D+01 -0.280555D+00  0.466583D+01
      6   0.102672D+01 -0.221098D+00 -0.375187D+01  0.761952D+01 -0.245692D+00
                71            72            73            74            75 
      1   0.552305D+01 -0.187879D+02  0.301321D+02 -0.240011D+02  0.482863D+01
      2  -0.540747D+01 -0.145883D+02 -0.168062D+02  0.118866D+02 -0.639846D+01
      3  -0.115581D+00  0.333762D+02 -0.133258D+02  0.121145D+02  0.156982D+01
      4   0.334702D+01 -0.605881D+00 -0.303558D+02  0.728818D+01 -0.491337D+00
      5  -0.131706D+01  0.123346D+02  0.103572D+02 -0.206074D+00  0.103371D+02
      6   0.747269D+01 -0.266428D+02 -0.273923D+01  0.113003D+01 -0.276480D+01
                76            77            78            79            80 
      1  -0.454917D+02 -0.817663D+01 -0.794883D-02  0.198573D+02  0.320590D+00
      2   0.256268D+02  0.101594D+02  0.775046D+00 -0.124833D+02 -0.185911D+00
      3   0.198648D+02 -0.198275D+01 -0.767097D+00 -0.737401D+01 -0.134678D+00
      4   0.690876D+01 -0.231250D+02  0.579446D+01 -0.346080D+01  0.844513D+01
      5  -0.268224D+01  0.605140D+01 -0.611941D+01  0.174574D+02 -0.457165D+01
      6   0.317326D+00 -0.206076D+01  0.714760D+01 -0.258015D+01  0.582167D+01
                81            82            83            84            85 
      1   0.307868D+01  0.325246D+01 -0.118555D+01 -0.491579D+01 -0.111704D+01
      2  -0.101208D+02 -0.494692D+01  0.418821D+00  0.312825D+01  0.541027D+00
      3   0.704210D+01  0.169446D+01  0.766729D+00  0.178754D+01  0.576011D+00
      4  -0.478270D+01 -0.134408D+01  0.122638D+01  0.354855D+00  0.129933D+01
      5   0.663440D+01 -0.471001D+01 -0.330596D+00  0.755651D+01 -0.514981D+00
      6  -0.113407D+01  0.239161D+00  0.627828D-01  0.236289D+00 -0.982392D+00
                86            87            88            89            90 
      1  -0.427160D+01  0.465616D+00 -0.801444D+01  0.129657D+00 -0.157252D+02
      2   0.438540D+00  0.856830D+00  0.638896D+01  0.635499D+00 -0.178516D+02
      3   0.383306D+01 -0.132245D+01  0.162548D+01 -0.765156D+00  0.335767D+02
      4   0.183773D+01 -0.462461D+01  0.252236D+00 -0.564534D+01  0.121267D+01
      5  -0.479122D+01  0.211170D+01  0.817804D+01  0.151022D+01 -0.352185D+02
      6  -0.156544D+00  0.826810D+01 -0.109105D+00  0.511844D+01  0.157069D+01
                91            92            93            94            95 
      1   0.219817D+00 -0.467945D+00  0.222307D+01 -0.377053D+00 -0.236575D+01
      2  -0.312568D+01  0.910994D+00 -0.649157D+00  0.628189D+00 -0.995893D+00
      3   0.290586D+01 -0.443049D+00 -0.157391D+01 -0.251135D+00  0.336164D+01
      4  -0.695798D-01  0.274243D+01  0.162587D+01  0.340531D+01  0.150780D+00
      5   0.177429D+01 -0.644938D-01  0.627486D+01 -0.335644D+00  0.146825D+01
      6   0.183445D+01 -0.261266D+00 -0.677512D+00  0.142423D+00  0.140397D+01
                96            97            98            99           100 
      1  -0.735117D+00  0.275245D+01 -0.207819D+01 -0.191652D+02  0.286183D+02
      2   0.255939D+01 -0.181066D+01  0.351638D+01 -0.177359D+02 -0.118826D+02
      3  -0.182428D+01 -0.941789D+00 -0.143818D+01  0.369011D+02 -0.167357D+02
      4   0.179512D+01  0.297156D+01  0.324427D+01  0.398781D+00  0.247197D+02
      5  -0.883325D+00  0.560184D+01  0.344610D+00  0.134668D+02 -0.379964D+01
      6   0.688831D+01  0.559158D+00  0.513568D+01  0.153666D+02 -0.265376D+01
               101           102           103           104           105 
      1  -0.546617D+01 -0.181089D+01 -0.143217D+01  0.172427D+02  0.579080D+01
      2   0.149600D+02  0.375710D+01  0.697545D+01 -0.171948D+02 -0.482413D+01
      3  -0.949387D+01 -0.194621D+01 -0.554328D+01 -0.479480D-01 -0.966677D+00
      4   0.263910D+02 -0.168497D+01  0.215152D+02  0.202783D+00 -0.298661D+01
      5   0.410222D-01  0.119050D+02 -0.457547D+00 -0.495507D+01  0.164206D+01
      6   0.216911D+00  0.408425D+01  0.233130D+00 -0.708881D+01  0.746140D+01
               106           107           108           109           110 
      1  -0.637910D+01  0.635174D+01 -0.198360D+01 -0.137541D+02 -0.112857D+02
      2   0.264888D+01 -0.102880D+02 -0.505903D+01  0.106686D+02  0.461271D+01
      3   0.373022D+01  0.393622D+01  0.704263D+01  0.308543D+01  0.667294D+01
      4  -0.683549D+01 -0.864392D+01  0.527243D+01 -0.138022D+02  0.539160D+00
      5   0.105970D+02  0.321486D+01 -0.263357D+01  0.132137D+02 -0.269319D+01
      6   0.597930D+01  0.738353D+01 -0.398046D+01 -0.756036D+01  0.485935D+01
               111           112           113           114           115 
      1   0.277887D+01 -0.315474D+02  0.143568D+02  0.199961D+01  0.234599D+02
      2  -0.555071D+01  0.236619D+02 -0.349550D+02 -0.774918D+01 -0.103287D+02
      3   0.277184D+01  0.788551D+01  0.205982D+02  0.574957D+01 -0.131312D+02
      4  -0.606978D+01 -0.769685D+01  0.392749D+02  0.619517D+01 -0.212513D+01
      5  -0.355451D+01  0.239905D+01  0.625661D+01 -0.642850D+01 -0.340002D+01
      6  -0.478962D+01  0.356379D+00 -0.347781D+01 -0.661180D+00  0.884803D+00
               116           117           118           119           120 
      1   0.173723D+01  0.174533D+02  0.308861D+01 -0.203256D+01 -0.236981D+01
      2  -0.541130D+01  0.853050D+01 -0.448995D+01  0.122984D+01  0.201335D+01
      3   0.367407D+01 -0.259838D+02  0.140134D+01  0.802719D+00  0.356452D+00
      4   0.930417D+01  0.570116D+01 -0.255689D+01  0.289178D+01  0.110848D+01
      5   0.531199D+01 -0.448393D+02 -0.329403D+01 -0.364133D+00  0.927657D+01
      6  -0.354970D+01  0.201207D+02  0.131947D+01  0.127870D+00 -0.841356D+00
               121           122           123           124           125 
      1  -0.141897D+01 -0.430742D+01 -0.829104D+00 -0.569946D+01 -0.993195D+00
      2   0.431165D+00  0.124910D+01  0.148068D+01  0.729255D+01  0.948755D+00
      3   0.987804D+00  0.305832D+01 -0.651581D+00 -0.159309D+01  0.444396D-01
      4   0.328983D+01  0.758980D+00 -0.212883D+01  0.349140D+01 -0.307834D+01
      5  -0.284390D-01 -0.314452D+01  0.855776D+00  0.838956D+01 -0.110416D+01
      6  -0.468377D+00  0.162594D+01  0.779759D+01 -0.142862D+01  0.580995D+01
               126           127           128           129           130 
      1  -0.185338D+02  0.222896D+02  0.270067D+01  0.253687D+00  0.674602D+01
      2  -0.161530D+02 -0.238907D+01  0.103101D+02  0.143629D+01  0.647121D+01
      3   0.346868D+02 -0.199006D+02 -0.130108D+02 -0.168998D+01 -0.132172D+02
      4  -0.156636D+01  0.280022D+02  0.328773D+02 -0.487801D+00  0.316201D+02
      5  -0.251113D+02 -0.267772D+01 -0.784581D+00  0.106011D+02  0.163851D+00
      6   0.117421D+02 -0.305361D+00 -0.110102D+01  0.493900D+01  0.951194D+00
               131           132           133           134           135 
      1  -0.868583D+01 -0.770471D+00 -0.104809D+01 -0.446888D+01  0.552544D+01
      2   0.323597D+02  0.252006D+01  0.142169D+01  0.383112D+01 -0.448871D+01
      3  -0.236739D+02 -0.174959D+01 -0.373606D+00  0.637760D+00 -0.103673D+01
      4   0.332955D+02  0.200578D+01  0.382638D+01  0.622472D+01 -0.191599D+01
      5   0.158281D+01 -0.119765D+01  0.641265D+01 -0.278213D+01  0.229026D+02
      6   0.135573D+01  0.530607D+01  0.119915D+01  0.149318D+00  0.274182D+02
               136           137           138           139           140 
      1   0.354479D+00  0.624700D+00  0.357970D+01 -0.273370D+00 -0.336067D+01
      2  -0.314520D+01  0.412189D-01 -0.167441D+01  0.124741D+01  0.129971D+01
      3   0.279072D+01 -0.665918D+00 -0.190529D+01 -0.974043D+00  0.206096D+01
      4   0.149825D+01  0.472931D+01  0.345128D+01  0.466539D+01  0.158342D+01
      5   0.411784D+01  0.674106D+00  0.845461D+01 -0.221048D+00  0.281569D+01
      6   0.382096D+01 -0.438373D-01  0.731046D+00  0.987367D-01  0.364885D+01
               141           142           143           144           145 
      1  -0.218701D+01  0.328969D+01 -0.414028D+01 -0.194173D+02  0.122967D+02
      2   0.349043D+01 -0.386115D+01  0.252741D+01 -0.160808D+02  0.573600D+01
      3  -0.130342D+01  0.571458D+00  0.161287D+01  0.354981D+02 -0.180327D+02
      4   0.233031D+01  0.638734D+01  0.615077D+01  0.369894D+01 -0.359252D+02
      5  -0.601299D+00  0.912886D+01  0.376094D+01  0.268018D+02  0.392847D+00
      6   0.773093D+01  0.340606D+01  0.885906D+01  0.263305D+02 -0.393379D+01
               146           147           148           149           150 
      1   0.159355D+01  0.228404D+01 -0.155119D+01 -0.156006D+01  0.570645D-01
      2  -0.157037D+02  0.323524D+00 -0.659390D+01  0.110729D+02 -0.160331D+01
      3   0.141101D+02 -0.260757D+01  0.814510D+01 -0.951283D+01  0.154625D+01
      4   0.250756D+02 -0.370445D+01  0.172039D+02 -0.137931D+02  0.163896D+01
      5   0.306209D+00  0.340587D+01  0.496047D+00  0.466429D+00 -0.269902D+01
      6   0.102754D+01 -0.672033D+01  0.105518D+01 -0.912353D+00  0.374485D+01
               151           152           153           154           155 
      1   0.223055D+01  0.755410D+00  0.511322D+00  0.492035D+02  0.168273D+02
      2   0.118325D+01 -0.366514D+01  0.970882D+00 -0.269464D+02 -0.953732D+01
      3  -0.341380D+01  0.290973D+01 -0.148220D+01 -0.222570D+02 -0.728994D+01
      4  -0.787730D+01  0.532824D+01 -0.432091D+01  0.131692D+02  0.144438D+02
      5   0.335279D+01 -0.182915D+01  0.133923D+01  0.100775D+01 -0.538811D-01
      6  -0.422004D+01  0.371016D+01 -0.856057D+00  0.130832D+01  0.135516D+01
               156           157           158           159           160 
      1  -0.119012D+01  0.351610D+02  0.134378D+02 -0.893047D-02 -0.594184D+01
      2  -0.223341D+00 -0.200356D+02 -0.614485D+01 -0.451989D+00  0.345570D+01
      3   0.141346D+01 -0.151254D+02 -0.729294D+01  0.460919D+00  0.248614D+01
      4  -0.421211D+00  0.131463D+02  0.161395D+02 -0.146555D+01 -0.170590D+01
      5   0.785831D+01  0.913630D+00 -0.146918D+01  0.498665D+01  0.584118D+01
      6   0.399123D-01  0.140420D+01  0.935946D+00 -0.276297D+00  0.409190D+00
               161           162           163           164           165 
      1  -0.189364D+01  0.403640D+01 -0.176683D+01  0.566674D+01  0.101430D+01
      2   0.911845D+00 -0.267992D+01  0.313936D+01 -0.711621D+01 -0.969482D+00
      3   0.981796D+00 -0.135648D+01 -0.137253D+01  0.144947D+01 -0.448194D-01
      4  -0.237970D+01  0.172772D+01 -0.182242D+01 -0.525870D+00  0.441327D+00
      5   0.216558D+01  0.293532D+00  0.273506D+00 -0.542662D+00 -0.530357D+00
      6   0.971699D+00 -0.684771D+00  0.115860D+01 -0.799176D+00  0.194324D+00
               166           167           168           169           170 
      1   0.663304D+01 -0.284395D+02 -0.228415D+01  0.149459D+01 -0.530540D+01
      2  -0.231413D+01  0.469151D+02  0.382915D+01 -0.976501D+00  0.730423D+01
      3  -0.431892D+01 -0.184756D+02 -0.154500D+01 -0.518090D+00 -0.199883D+01
      4   0.809427D+01  0.257261D+02  0.161078D+01  0.119986D+01  0.396133D+01
      5  -0.325384D+00  0.293700D+01  0.408875D+01  0.709051D+00  0.237091D+01
      6  -0.282383D+00  0.378322D+01  0.608904D+01  0.153420D+00  0.560754D+01
               171           172           173           174           175 
      1  -0.274575D+01  0.817078D+02  0.282985D+01 -0.604819D+01  0.281425D+01
      2   0.374385D+01 -0.476069D+02 -0.231605D+00  0.737982D+01 -0.345008D+01
      3  -0.998103D+00 -0.341009D+02 -0.259825D+01 -0.133164D+01  0.635829D+00
      4   0.197395D+01 -0.424337D+01  0.159032D+02  0.290132D+01  0.231884D+02
      5   0.915862D-01 -0.127496D+02  0.125940D+01  0.161497D+02  0.680728D-01
      6   0.155988D+01  0.348856D+01 -0.229069D+01  0.209100D+01 -0.126166D+01
               176           177           178           179           180 
      1   0.125183D+02  0.317491D+01 -0.231685D+02 -0.160422D+00  0.722404D+01
      2  -0.630647D+00  0.112752D+01  0.141528D+02 -0.629801D+00 -0.139631D+02
      3  -0.118876D+02 -0.430243D+01  0.901566D+01  0.790223D+00  0.673904D+01
      4  -0.325757D+02 -0.430802D+01  0.128443D+01 -0.587267D+01 -0.141013D+01
      5  -0.485712D+01 -0.316579D+01  0.227716D+02  0.905346D+00 -0.839506D+01
      6   0.128879D+01  0.939113D+01 -0.253240D+01  0.533183D+01 -0.642423D+00
               181           182           183           184           185 
      1   0.306240D+01 -0.646981D+01 -0.316752D+01 -0.680961D+01 -0.213658D+02
      2   0.325656D+01  0.142118D+01  0.103652D+01 -0.373803D+01  0.495351D+02
      3  -0.631896D+01  0.504863D+01  0.213099D+01  0.105476D+02 -0.281693D+02
      4  -0.875826D+01  0.112873D+02  0.180888D+01  0.203539D+02 -0.544085D+02
      5  -0.290345D+01  0.532537D+00  0.279502D+01  0.390870D+00 -0.348430D+01
      6   0.185462D+01 -0.598276D+00 -0.105240D+01  0.200419D+00  0.199177D+01
               186           187           188           189           190 
      1  -0.173123D+01 -0.560230D+01 -0.353815D+01 -0.381142D+01  0.132708D+01
      2   0.442707D+01  0.139425D+01  0.748630D+01  0.334773D+01 -0.458492D+01
      3  -0.269584D+01  0.420805D+01 -0.394814D+01  0.463688D+00  0.325784D+01
      4  -0.407981D+01  0.478633D+01 -0.944284D+01 -0.683360D+01  0.111707D+01
      5  -0.617293D+01  0.362240D+01 -0.686033D+01  0.119337D+01  0.658237D+01
      6   0.750792D+01 -0.192480D+01  0.799894D+01  0.197108D+01 -0.219835D+01
               191           192           193           194           195 
      1   0.145905D+01  0.836709D+01  0.578397D+01 -0.468088D+01  0.968584D+00
      2  -0.132742D+01 -0.416741D+01 -0.430699D+01  0.367743D+01 -0.260187D+01
      3  -0.131629D+00 -0.419968D+01 -0.147698D+01  0.100345D+01  0.163328D+01
      4   0.163721D+01 -0.234576D+01  0.123366D+01 -0.478571D+01  0.471880D+01
      5  -0.517520D+00  0.663568D+01 -0.670662D-02  0.504839D+01  0.289638D+01
      6  -0.815580D+00  0.768635D+00  0.332721D+00 -0.169331D+01  0.469731D+01
               196           197           198           199           200 
      1   0.107934D+02  0.406060D+01 -0.218028D+02  0.814287D+00  0.168011D+01
      2  -0.777237D+01 -0.265996D+01 -0.155022D+02 -0.837321D+00 -0.476058D+00
      3  -0.302099D+01 -0.140064D+01  0.373050D+02  0.230338D-01 -0.120405D+01
      4  -0.457306D+01  0.730027D+01 -0.661716D+01  0.216546D+01  0.130673D+01
      5   0.110219D+02 -0.648737D+01  0.512467D+02 -0.132818D+01 -0.274647D+00
      6  -0.250479D+01  0.896724D+01 -0.228748D+02 -0.208763D+01  0.997449D+00
               201           202           203           204           205 
      1  -0.306562D+01  0.177854D+01 -0.461480D+01  0.267035D+01 -0.543755D+01
      2   0.138775D+01  0.993264D-01  0.680928D+01 -0.422437D+01  0.156198D+01
      3   0.167787D+01 -0.187786D+01 -0.219448D+01  0.155402D+01  0.387556D+01
      4  -0.189000D+01  0.313580D+01  0.552955D+01 -0.358693D+01 -0.105341D+02
      5  -0.467192D-01 -0.107290D+01 -0.321978D+01  0.565821D+01  0.595221D+01
      6  -0.210739D+01 -0.113052D+01 -0.529290D+01  0.813497D+01  0.519053D+01
               206           207           208           209           210 
      1   0.814336D+01 -0.112075D+02 -0.362267D+00  0.684789D+01  0.106844D+01
      2  -0.105072D+02  0.290715D+01  0.187240D+01 -0.281602D+01 -0.184377D+00
      3   0.236389D+01  0.830030D+01 -0.151013D+01 -0.403187D+01 -0.884064D+00
      4  -0.131660D+02  0.106292D+02  0.672863D+01 -0.775930D+00 -0.424286D+00
      5   0.103162D+02 -0.264453D+02  0.419775D+00 -0.813719D+00  0.150484D+01
      6   0.149592D+02 -0.323518D+02 -0.197591D+00 -0.255449D+00  0.167529D+01
               211           212           213           214           215 
      1   0.294012D+02 -0.293853D+01 -0.220710D+01  0.173892D+01 -0.827926D+00
      2  -0.172064D+02  0.191139D+01  0.206896D+01 -0.104460D+01  0.456858D+00
      3  -0.121948D+02  0.102714D+01  0.138139D+00 -0.694319D+00  0.371068D+00
      4  -0.368562D+01  0.404920D+02 -0.105646D+00 -0.762801D+00  0.131740D+01
      5  -0.274108D+01  0.515633D+00  0.977017D+01  0.269742D+01  0.209616D+01
      6   0.808923D+00 -0.129694D+01 -0.240531D+01 -0.272862D-01  0.184243D+01
               216 
      1   0.111352D+01
      2  -0.935362D+00
      3  -0.178160D+00
      4   0.144081D+01
      5  -0.211674D+01
      6   0.264071D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 19:35:11 2022, MaxMem=  5368709120 cpu:            9357.3 elap:            1173.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17439 -19.17319 -19.16869 -19.16490 -19.16427
 Alpha  occ. eigenvalues --  -19.14948 -10.30466 -10.25653 -10.25492 -10.25334
 Alpha  occ. eigenvalues --  -10.25198 -10.24102  -1.09147  -1.05338  -1.04224
 Alpha  occ. eigenvalues --   -1.02391  -1.02270  -1.01641  -0.79922  -0.77966
 Alpha  occ. eigenvalues --   -0.69476  -0.66384  -0.63738  -0.60973  -0.57296
 Alpha  occ. eigenvalues --   -0.56176  -0.53828  -0.52589  -0.51603  -0.50557
 Alpha  occ. eigenvalues --   -0.48737  -0.46932  -0.46127  -0.43880  -0.42814
 Alpha  occ. eigenvalues --   -0.41347  -0.39996  -0.39589  -0.38680  -0.37902
 Alpha  occ. eigenvalues --   -0.36211  -0.33735  -0.33398  -0.31464  -0.30542
 Alpha  occ. eigenvalues --   -0.30041  -0.29308  -0.27963
 Alpha virt. eigenvalues --    0.00169   0.00981   0.02325   0.02650   0.04055
 Alpha virt. eigenvalues --    0.04791   0.05633   0.06291   0.07188   0.07772
 Alpha virt. eigenvalues --    0.09099   0.10009   0.10201   0.10406   0.11006
 Alpha virt. eigenvalues --    0.11513   0.11986   0.13099   0.13379   0.13890
 Alpha virt. eigenvalues --    0.14338   0.14757   0.15433   0.15614   0.16304
 Alpha virt. eigenvalues --    0.17112   0.17572   0.18096   0.18220   0.18930
 Alpha virt. eigenvalues --    0.20010   0.20579   0.21724   0.22254   0.22334
 Alpha virt. eigenvalues --    0.23331   0.23694   0.24695   0.24965   0.25441
 Alpha virt. eigenvalues --    0.25665   0.26343   0.26732   0.27622   0.28142
 Alpha virt. eigenvalues --    0.28534   0.28882   0.29382   0.30030   0.30772
 Alpha virt. eigenvalues --    0.30904   0.31357   0.32356   0.32810   0.33156
 Alpha virt. eigenvalues --    0.33728   0.33990   0.34181   0.34425   0.34919
 Alpha virt. eigenvalues --    0.35492   0.35946   0.36513   0.36676   0.37688
 Alpha virt. eigenvalues --    0.37919   0.38778   0.38983   0.40326   0.40937
 Alpha virt. eigenvalues --    0.41321   0.42089   0.42212   0.42766   0.43174
 Alpha virt. eigenvalues --    0.43875   0.45264   0.45909   0.45991   0.46246
 Alpha virt. eigenvalues --    0.47873   0.48050   0.48625   0.48849   0.49257
 Alpha virt. eigenvalues --    0.49508   0.51120   0.51588   0.51908   0.52359
 Alpha virt. eigenvalues --    0.52781   0.53926   0.54114   0.54660   0.55346
 Alpha virt. eigenvalues --    0.55933   0.56097   0.56329   0.57114   0.57354
 Alpha virt. eigenvalues --    0.58293   0.59217   0.59480   0.59981   0.60480
 Alpha virt. eigenvalues --    0.61024   0.61279   0.61794   0.62678   0.63230
 Alpha virt. eigenvalues --    0.63357   0.63757   0.64648   0.65232   0.65575
 Alpha virt. eigenvalues --    0.66159   0.67037   0.67931   0.68897   0.69256
 Alpha virt. eigenvalues --    0.70323   0.71170   0.72022   0.72608   0.72696
 Alpha virt. eigenvalues --    0.73777   0.75578   0.75966   0.76783   0.77328
 Alpha virt. eigenvalues --    0.77897   0.79288   0.79722   0.79925   0.80769
 Alpha virt. eigenvalues --    0.81208   0.82097   0.82986   0.83334   0.84905
 Alpha virt. eigenvalues --    0.86037   0.86988   0.87575   0.88732   0.89617
 Alpha virt. eigenvalues --    0.91081   0.93122   0.93888   0.94167   0.96067
 Alpha virt. eigenvalues --    0.96708   0.99237   1.01013   1.02084   1.02812
 Alpha virt. eigenvalues --    1.03468   1.05026   1.06368   1.06881   1.08939
 Alpha virt. eigenvalues --    1.10926   1.12302   1.12963   1.14332   1.15909
 Alpha virt. eigenvalues --    1.17817   1.18464   1.21285   1.21759   1.23613
 Alpha virt. eigenvalues --    1.23785   1.26201   1.27621   1.29499   1.31179
 Alpha virt. eigenvalues --    1.32249   1.36014   1.37419   1.38218   1.39672
 Alpha virt. eigenvalues --    1.42212   1.44237   1.46861   1.49226   1.50562
 Alpha virt. eigenvalues --    1.52655   1.53990   1.54905   1.56038   1.57336
 Alpha virt. eigenvalues --    1.57762   1.60324   1.60845   1.62711   1.64227
 Alpha virt. eigenvalues --    1.65563   1.69167   1.70226   1.72168   1.73060
 Alpha virt. eigenvalues --    1.74200   1.75527   1.78622   1.81408   1.82146
 Alpha virt. eigenvalues --    1.83092   1.84570   1.85927   1.87413   1.89383
 Alpha virt. eigenvalues --    1.89750   1.91406   1.92468   1.93102   1.94204
 Alpha virt. eigenvalues --    1.94950   1.96364   1.96869   1.98301   1.99192
 Alpha virt. eigenvalues --    2.01322   2.02222   2.04355   2.05134   2.06646
 Alpha virt. eigenvalues --    2.07364   2.09390   2.10219   2.10357   2.12960
 Alpha virt. eigenvalues --    2.13849   2.16510   2.18161   2.18659   2.19083
 Alpha virt. eigenvalues --    2.20195   2.21094   2.22543   2.23782   2.24541
 Alpha virt. eigenvalues --    2.26604   2.27398   2.29519   2.29914   2.31403
 Alpha virt. eigenvalues --    2.32709   2.33240   2.35431   2.35987   2.36335
 Alpha virt. eigenvalues --    2.37268   2.39401   2.41657   2.42484   2.44164
 Alpha virt. eigenvalues --    2.45266   2.46400   2.48193   2.51730   2.54300
 Alpha virt. eigenvalues --    2.55726   2.58480   2.60876   2.63624   2.67535
 Alpha virt. eigenvalues --    2.70655   2.72798   2.80984   2.86482   2.90195
 Alpha virt. eigenvalues --    2.94493   2.97984   2.99809   3.02307   3.03122
 Alpha virt. eigenvalues --    3.03751   3.04556   3.05504   3.06578   3.07434
 Alpha virt. eigenvalues --    3.08612   3.10279   3.10909   3.12490   3.15135
 Alpha virt. eigenvalues --    3.16866   3.17387   3.19784   3.21046   3.22254
 Alpha virt. eigenvalues --    3.24750   3.26665   3.28303   3.30593   3.48922
 Alpha virt. eigenvalues --    3.53873   3.54987   3.58430   3.59625   3.66725
 Alpha virt. eigenvalues --    3.78157   3.92860   3.95604   3.96647   3.98105
 Alpha virt. eigenvalues --    4.01324
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.287034  -0.259988  -0.362695  -0.221662   0.039671  -0.044330
     2  C   -0.259988   6.236515  -0.019394  -0.043868  -0.049616  -0.301445
     3  C   -0.362695  -0.019394   6.351191  -0.044650  -0.200438  -0.061815
     4  C   -0.221662  -0.043868  -0.044650   6.538436  -0.645242   0.186692
     5  O    0.039671  -0.049616  -0.200438  -0.645242  10.020242  -0.604611
     6  C   -0.044330  -0.301445  -0.061815   0.186692  -0.604611   5.709090
     7  O   -0.002279  -0.085353  -0.167710   0.025314   0.031436   0.010169
     8  H    0.398611  -0.057489  -0.014829  -0.089485   0.031386  -0.017412
     9  O   -0.104286  -0.032200  -0.032102  -0.011006   0.074080  -0.065158
    10  H    0.171820   0.248860  -0.073546  -0.001623  -0.075207   0.153698
    11  H    0.031983  -0.037277   0.320721   0.027576  -0.162740   0.048186
    12  O   -0.064682  -0.014998  -0.164531  -0.053610   0.079658  -0.015213
    13  C    0.051342  -0.024781  -0.245502   0.106840   0.047132  -0.007608
    14  H   -0.067747   0.010836   0.301732   0.220484  -0.123155  -0.034508
    15  O    0.015331  -0.000817  -0.016916  -0.041729   0.020041  -0.199457
    16  H   -0.087159   0.199052   0.015252   0.036510  -0.068487   0.280031
    17  H    0.043345  -0.033069   0.065046   0.007311  -0.005918   0.008861
    18  H    0.043994   0.041516   0.004342   0.001832   0.001306  -0.006884
    19  H   -0.046670   0.012379   0.086089   0.034937  -0.000585  -0.000299
    20  O    0.009739  -0.002920  -0.009851  -0.061020   0.056514  -0.002894
    21  H   -0.005535   0.001518   0.068182   0.051938   0.024796   0.004279
    22  H   -0.013973   0.006842   0.043771   0.155922  -0.099767  -0.002703
    23  H   -0.001232  -0.011486   0.002579  -0.010490   0.029394   0.083069
    24  H    0.000760  -0.000198  -0.021406  -0.019710   0.000859   0.001717
               7          8          9         10         11         12
     1  C   -0.002279   0.398611  -0.104286   0.171820   0.031983  -0.064682
     2  C   -0.085353  -0.057489  -0.032200   0.248860  -0.037277  -0.014998
     3  C   -0.167710  -0.014829  -0.032102  -0.073546   0.320721  -0.164531
     4  C    0.025314  -0.089485  -0.011006  -0.001623   0.027576  -0.053610
     5  O    0.031436   0.031386   0.074080  -0.075207  -0.162740   0.079658
     6  C    0.010169  -0.017412  -0.065158   0.153698   0.048186  -0.015213
     7  O    8.344186  -0.075958   0.061822  -0.061598  -0.122818   0.065223
     8  H   -0.075958   1.010616  -0.078736   0.029897   0.043426  -0.044551
     9  O    0.061822  -0.078736   8.347780  -0.092759  -0.009344   0.014153
    10  H   -0.061598   0.029897  -0.092759   0.974728  -0.019044  -0.004909
    11  H   -0.122818   0.043426  -0.009344  -0.019044   1.282238  -0.125030
    12  O    0.065223  -0.044551   0.014153  -0.004909  -0.125030   8.304392
    13  C    0.008366   0.002097   0.003330   0.001148  -0.068000   0.053927
    14  H    0.002322  -0.054431  -0.002113  -0.004738   0.043303  -0.059477
    15  O    0.001596   0.005608  -0.000479  -0.023565  -0.004425   0.002886
    16  H    0.004950  -0.036963  -0.060994   0.005673   0.001376  -0.003617
    17  H    0.185117   0.003209  -0.004911   0.001505   0.007562  -0.004954
    18  H   -0.001901   0.004261   0.189195  -0.010316   0.000336  -0.000311
    19  H   -0.003172   0.009417   0.000576   0.001182  -0.005092   0.186271
    20  O   -0.001286   0.001203   0.000257  -0.000224   0.011987  -0.020250
    21  H   -0.000082  -0.000374  -0.000081  -0.000182   0.005238  -0.003768
    22  H    0.001246  -0.001211  -0.000280  -0.000357  -0.033849  -0.011049
    23  H    0.000640   0.001377   0.008301  -0.022028   0.000565  -0.000164
    24  H    0.000408  -0.000690  -0.000057   0.000098  -0.008728   0.074376
              13         14         15         16         17         18
     1  C    0.051342  -0.067747   0.015331  -0.087159   0.043345   0.043994
     2  C   -0.024781   0.010836  -0.000817   0.199052  -0.033069   0.041516
     3  C   -0.245502   0.301732  -0.016916   0.015252   0.065046   0.004342
     4  C    0.106840   0.220484  -0.041729   0.036510   0.007311   0.001832
     5  O    0.047132  -0.123155   0.020041  -0.068487  -0.005918   0.001306
     6  C   -0.007608  -0.034508  -0.199457   0.280031   0.008861  -0.006884
     7  O    0.008366   0.002322   0.001596   0.004950   0.185117  -0.001901
     8  H    0.002097  -0.054431   0.005608  -0.036963   0.003209   0.004261
     9  O    0.003330  -0.002113  -0.000479  -0.060994  -0.004911   0.189195
    10  H    0.001148  -0.004738  -0.023565   0.005673   0.001505  -0.010316
    11  H   -0.068000   0.043303  -0.004425   0.001376   0.007562   0.000336
    12  O    0.053927  -0.059477   0.002886  -0.003617  -0.004954  -0.000311
    13  C    4.570212  -0.115290  -0.005055   0.000267  -0.000131   0.000045
    14  H   -0.115290   1.063973  -0.009645   0.040106   0.000083   0.000613
    15  O   -0.005055  -0.009645   8.634592  -0.085325  -0.000329  -0.000464
    16  H    0.000267   0.040106  -0.085325   1.053727   0.000250  -0.000461
    17  H   -0.000131   0.000083  -0.000329   0.000250   0.589884   0.000813
    18  H    0.000045   0.000613  -0.000464  -0.000461   0.000813   0.578464
    19  H   -0.007200  -0.001325  -0.000171   0.000118  -0.000235  -0.000037
    20  O    0.054183  -0.017763   0.001042  -0.000650  -0.000009  -0.000008
    21  H    0.120763   0.019058  -0.001664   0.001337   0.000001   0.000002
    22  H    0.245429   0.019740  -0.002057   0.001114   0.000015   0.000012
    23  H    0.000346  -0.000837   0.101363   0.008112  -0.000053   0.001860
    24  H    0.015358   0.009866  -0.000039   0.000249  -0.000015  -0.000000
              19         20         21         22         23         24
     1  C   -0.046670   0.009739  -0.005535  -0.013973  -0.001232   0.000760
     2  C    0.012379  -0.002920   0.001518   0.006842  -0.011486  -0.000198
     3  C    0.086089  -0.009851   0.068182   0.043771   0.002579  -0.021406
     4  C    0.034937  -0.061020   0.051938   0.155922  -0.010490  -0.019710
     5  O   -0.000585   0.056514   0.024796  -0.099767   0.029394   0.000859
     6  C   -0.000299  -0.002894   0.004279  -0.002703   0.083069   0.001717
     7  O   -0.003172  -0.001286  -0.000082   0.001246   0.000640   0.000408
     8  H    0.009417   0.001203  -0.000374  -0.001211   0.001377  -0.000690
     9  O    0.000576   0.000257  -0.000081  -0.000280   0.008301  -0.000057
    10  H    0.001182  -0.000224  -0.000182  -0.000357  -0.022028   0.000098
    11  H   -0.005092   0.011987   0.005238  -0.033849   0.000565  -0.008728
    12  O    0.186271  -0.020250  -0.003768  -0.011049  -0.000164   0.074376
    13  C   -0.007200   0.054183   0.120763   0.245429   0.000346   0.015358
    14  H   -0.001325  -0.017763   0.019058   0.019740  -0.000837   0.009866
    15  O   -0.000171   0.001042  -0.001664  -0.002057   0.101363  -0.000039
    16  H    0.000118  -0.000650   0.001337   0.001114   0.008112   0.000249
    17  H   -0.000235  -0.000009   0.000001   0.000015  -0.000053  -0.000015
    18  H   -0.000037  -0.000008   0.000002   0.000012   0.001860  -0.000000
    19  H    0.616193  -0.001842  -0.000130   0.003588   0.000017  -0.008523
    20  O   -0.001842   8.139898  -0.019528  -0.022510  -0.000003   0.295685
    21  H   -0.000130  -0.019528   1.003798  -0.032302   0.000259   0.005320
    22  H    0.003588  -0.022510  -0.032302   0.894368   0.000004  -0.006674
    23  H    0.000017  -0.000003   0.000259   0.000004   0.635083   0.000005
    24  H   -0.008523   0.295685   0.005320  -0.006674   0.000005   0.486116
 Mulliken charges:
               1
     1  C    0.188608
     2  C    0.217381
     3  C    0.176480
     4  C   -0.149695
     5  O   -0.420747
     6  C    0.878545
     7  O   -0.220638
     8  H   -0.068982
     9  O   -0.204988
    10  H   -0.198512
    11  H   -0.228150
    12  O   -0.189770
    13  C    1.192786
    14  H   -0.241087
    15  O   -0.390324
    16  H   -0.304468
    17  H    0.136622
    18  H    0.151792
    19  H    0.124515
    20  O   -0.409749
    21  H   -0.242843
    22  H   -0.145319
    23  H    0.173318
    24  H    0.175225
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.119626
     2  C    0.018870
     3  C   -0.051670
     4  C   -0.390783
     5  O   -0.420747
     6  C    0.574077
     7  O   -0.084016
     9  O   -0.053196
    12  O   -0.065255
    13  C    0.804624
    15  O   -0.217006
    20  O   -0.234525
 Electronic spatial extent (au):  <R**2>=           2208.9018
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.5141    Y=              1.1097    Z=              1.7620  Tot=              4.0847
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -83.5028   YY=            -74.1898   ZZ=            -69.8714
   XY=              3.0194   XZ=             -0.0089   YZ=             -3.4704
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.6481   YY=              1.6648   ZZ=              5.9833
   XY=              3.0194   XZ=             -0.0089   YZ=             -3.4704
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -80.4852  YYY=             25.5656  ZZZ=              3.2394  XYY=              5.9854
  XXY=             14.2554  XXZ=             22.5292  XZZ=             -6.4188  YZZ=             -7.5442
  YYZ=              4.0299  XYZ=              7.2012
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1830.5514 YYYY=           -889.0598 ZZZZ=           -144.4029 XXXY=             80.6064
 XXXZ=              7.0318 YYYX=            -19.9781 YYYZ=            -33.8951 ZZZX=             -4.2716
 ZZZY=             -6.9181 XXYY=           -406.8025 XXZZ=           -301.6844 YYZZ=           -170.6272
 XXYZ=            -18.6921 YYXZ=            -12.8238 ZZXY=             17.9077
 N-N= 8.277809961725D+02 E-N=-3.263757772480D+03  KE= 6.804228009140D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 19:35:11 2022, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.36584779D+00 4.61540844D-01 6.84923534D-01
 Polarizability= 1.29825881D+02 2.09817097D+00 1.20314303D+02
                -6.11756485D-01-1.98079890D+00 1.08093461D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.2040    0.2037        0.6765    0.6772
 2     -0.2040   -0.2037        0.8896    0.8905       -5.4679   -5.4672
 3     -0.6765   -0.6772       13.6843   13.6807       -0.8912   -0.8905
 4     -0.8896   -0.8905       -0.0000    0.0000       -0.6781   -0.6772
 5     -8.2164   -8.2135        0.6781    0.6772        0.2022    0.2037
 6      0.8912    0.8905       -0.2022   -0.2037        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6111   -0.6111        2.0316    2.0316
 2     -2.6714   -2.6714        0.0000    0.0000        2.0316    2.0316
 3     -2.6714   -2.6714       -0.6111   -0.6111        0.0000    0.0000
 4     -0.6111   -0.6111        2.6714    2.6714      -16.4016  -16.4016
 5     -2.0316   -2.0316       41.0420   41.0420       -2.6714   -2.6714
 6    -24.6404  -24.6404        2.0316    2.0316        0.6111    0.6111
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0981    0.0000       -0.9665   -0.8148       -2.6378   -2.7089
 2      0.7271    0.8148       -3.4816   -3.5619       21.6745   21.8688
 3      2.5335    2.7089      -54.5533  -54.7227        3.3403    3.5619
 4      3.5071    3.5619       -0.1802    0.0000        2.7997    2.7089
 5     32.7644   32.8539       -2.7239   -2.7089       -0.6337   -0.8148
 6     -3.6418   -3.5619        0.6703    0.8148       -0.1674    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1266    0.0000       -1.0496   -1.0431        9.4622    9.5069
 2      1.0972    1.0431       -5.9709   -5.9491       -1.8264   -1.7785
 3     -9.7360   -9.5069        5.4021    5.6009        6.2805    5.9491
 4      6.0641    5.9491       -0.0276    0.0000       -9.4820   -9.5069
 5     -3.8452   -3.8224        9.7871    9.5069       -1.2896   -1.0431
 6     -5.8758   -5.9491        1.0502    1.0431        0.0281    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -19.7429  -19.9926        9.0189    8.9805      -25.2818  -25.2309
 2    -17.3385  -17.4896        9.2653    9.2952      -25.3577  -25.2309
 3    -17.2240  -17.4896        9.0162    8.9805      -34.2504  -34.1650
 4     -0.2014   -0.3147       -2.2832   -2.5029       -0.0539   -0.2321
 5     -9.0125   -8.9342        8.5561    8.5315        2.5747    2.5029
 6     -7.9320   -8.2994        9.0720    8.9342        0.8020    0.3147
 Full mass-weighted force constant matrix:
 Low frequencies ---  -18.9001  -16.7845  -13.3108   -0.0011   -0.0011   -0.0010
 Low frequencies ---   60.4758   95.4928  108.5466
 Diagonal vibrational polarizability:
      135.4909721      89.1175640     211.2102968
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     60.3022                95.4512               108.5178
 Red. masses --      6.9553                 4.1699                 6.4573
 Frc consts  --      0.0149                 0.0224                 0.0448
 IR Inten    --      0.9654                 2.6807                 4.1701
 RamAct Fr= 1--      0.0450                 0.0604                 0.0309
  Dep-P Fr= 1--      0.7499                 0.7490                 0.6206
  Dep-U Fr= 1--      0.8571                 0.8565                 0.7659
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0064                 0.0086                 0.0039
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--      0.0150                 0.1178                -0.0005
 Delta2 Fr= 1--      0.0295                 0.0710                -0.0117
 Raman1 Fr= 1--       0.180                  0.242                  0.124
 ROA1   Fr= 1--       2.387                 13.578                 -0.421
 CID1   Fr= 1--      13.273                 56.169                 -3.406
 Raman2 Fr= 1--       0.077                  0.104                  0.047
 ROA2   Fr= 1--       0.124                  2.258                  0.082
 CID2   Fr= 1--       1.615                 21.812                  1.725
 Raman3 Fr= 1--       0.154                  0.207                  0.095
 ROA3   Fr= 1--       2.387                 13.578                 -0.421
 CID3   Fr= 1--      15.486                 65.581                 -4.447
 RC180  Fr= 1--       0.714                  0.713                  0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.02     0.03  -0.03  -0.05    -0.00   0.03   0.08
     2   6     0.03  -0.01   0.09     0.01   0.01  -0.02    -0.04   0.00  -0.08
     3   6     0.03   0.00  -0.14    -0.01  -0.06   0.02     0.04  -0.01  -0.07
     4   6     0.02  -0.02  -0.10    -0.01  -0.01  -0.11    -0.02  -0.03  -0.05
     5   8    -0.00  -0.02  -0.15     0.00  -0.04  -0.14    -0.01   0.02   0.07
     6   6    -0.02   0.03  -0.06    -0.05  -0.03   0.02    -0.01  -0.03   0.04
     7   8     0.04  -0.00  -0.01     0.04   0.00  -0.12     0.04  -0.07   0.35
     8   1    -0.12  -0.02  -0.02     0.07  -0.08  -0.06    -0.05   0.23   0.10
     9   8    -0.05   0.02   0.30     0.01   0.03  -0.02     0.06   0.01  -0.31
    10   1     0.20  -0.08   0.09     0.02   0.05  -0.02    -0.21   0.04  -0.09
    11   1     0.13   0.07  -0.14    -0.09  -0.18   0.01     0.17   0.03  -0.07
    12   8    -0.02  -0.01  -0.29     0.01   0.00   0.20    -0.02  -0.02  -0.24
    13   6    -0.05  -0.05   0.06    -0.01  -0.08  -0.17    -0.01  -0.05  -0.08
    14   1     0.10  -0.03  -0.09    -0.04   0.08  -0.11    -0.09  -0.08  -0.05
    15   8    -0.01   0.00  -0.10    -0.01   0.01   0.22    -0.01   0.00   0.15
    16   1    -0.08   0.13  -0.07    -0.21  -0.10   0.02    -0.01  -0.14   0.04
    17   1    -0.02  -0.04   0.13     0.04  -0.01  -0.12     0.10   0.08   0.30
    18   1    -0.01  -0.02   0.30    -0.04   0.10   0.11    -0.03   0.09  -0.26
    19   1     0.04  -0.01  -0.22    -0.07  -0.02   0.19     0.07  -0.02  -0.12
    20   8     0.05   0.07   0.37    -0.00   0.16   0.11    -0.01   0.12   0.11
    21   1     0.03  -0.01  -0.07     0.07  -0.00  -0.45     0.06  -0.00  -0.25
    22   1    -0.27  -0.20   0.07    -0.11  -0.37  -0.14    -0.10  -0.23  -0.06
    23   1     0.08  -0.12  -0.14     0.16   0.07   0.21    -0.04   0.15   0.17
    24   1    -0.07   0.06   0.32    -0.11   0.13   0.28    -0.16   0.10   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    148.3940               181.3316               202.8000
 Red. masses --      3.4322                 1.6694                 3.0775
 Frc consts  --      0.0445                 0.0323                 0.0746
 IR Inten    --     21.6683               132.9299                 4.8073
 RamAct Fr= 1--      0.1557                 0.5014                 0.2023
  Dep-P Fr= 1--      0.4916                 0.7274                 0.6650
  Dep-U Fr= 1--      0.6592                 0.8422                 0.7988
 Alpha2 Fr= 1--      0.0008                 0.0002                 0.0003
 Beta2  Fr= 1--      0.0171                 0.0704                 0.0269
 AlphaG Fr= 1--     -0.0013                 0.0012                -0.0018
 Gamma2 Fr= 1--      0.0347                -0.0183                -0.0045
 Delta2 Fr= 1--     -0.0354                 0.0477                 0.0218
 Raman1 Fr= 1--       0.623                  2.005                  0.809
 ROA1   Fr= 1--       2.201                 -0.228                  0.268
 CID1   Fr= 1--       3.534                 -0.113                  0.331
 Raman2 Fr= 1--       0.205                  0.845                  0.323
 ROA2   Fr= 1--       1.116                 -0.820                 -0.282
 CID2   Fr= 1--       5.437                 -0.970                 -0.874
 Raman3 Fr= 1--       0.411                  1.689                  0.646
 ROA3   Fr= 1--       2.201                 -0.228                  0.268
 CID3   Fr= 1--       5.361                 -0.135                  0.415
 RC180  Fr= 1--       0.318                  0.684                  0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.04   0.02     0.02  -0.02  -0.01     0.01   0.00  -0.05
     2   6    -0.00  -0.00   0.05     0.02  -0.01  -0.01     0.02   0.00  -0.04
     3   6     0.02  -0.05   0.03     0.02   0.00   0.01    -0.03  -0.07  -0.05
     4   6    -0.02  -0.08   0.06    -0.01  -0.02   0.03     0.01  -0.06  -0.01
     5   8    -0.03  -0.02   0.17    -0.01  -0.00   0.06    -0.01  -0.10  -0.12
     6   6     0.02   0.00   0.04    -0.00  -0.02  -0.00    -0.03  -0.02  -0.05
     7   8     0.13   0.01  -0.06    -0.10  -0.03  -0.05     0.09  -0.02   0.06
     8   1     0.04  -0.11   0.02     0.04  -0.05  -0.01    -0.01   0.07  -0.04
     9   8     0.00  -0.01   0.04     0.05   0.10  -0.00    -0.00  -0.00   0.02
    10   1    -0.01   0.00   0.05     0.02  -0.02  -0.01     0.07  -0.00  -0.04
    11   1     0.04  -0.02   0.03     0.03   0.03   0.01    -0.08  -0.08  -0.05
    12   8    -0.01  -0.05  -0.01     0.05  -0.04  -0.03     0.03  -0.11   0.02
    13   6     0.04  -0.03  -0.06     0.01  -0.01  -0.01     0.03   0.17   0.17
    14   1    -0.12  -0.12   0.06    -0.04  -0.03   0.03     0.14  -0.09  -0.00
    15   8    -0.07   0.01  -0.16    -0.01  -0.02  -0.03    -0.07   0.05   0.05
    16   1     0.16   0.07   0.04     0.04  -0.02  -0.00    -0.10  -0.05  -0.05
    17   1     0.29   0.24  -0.36    -0.40  -0.47   0.49     0.08   0.03   0.15
    18   1     0.09  -0.14  -0.20    -0.10   0.29   0.25    -0.00   0.01   0.09
    19   1    -0.11  -0.04  -0.18     0.27  -0.04   0.23     0.13  -0.10   0.13
    20   8    -0.08   0.22  -0.03    -0.03   0.07  -0.01    -0.06   0.12  -0.05
    21   1     0.16   0.02  -0.22     0.04   0.01  -0.06     0.15   0.10   0.50
    22   1     0.08  -0.18  -0.05     0.03  -0.05  -0.01     0.03   0.52   0.14
    23   1    -0.34   0.03  -0.12    -0.04  -0.02  -0.03     0.03   0.05   0.04
    24   1    -0.28   0.19   0.00    -0.10   0.06  -0.01    -0.16   0.12  -0.26
                      7                      8                      9
                      A                      A                      A
 Frequencies --    228.5802               265.0413               275.5196
 Red. masses --      2.0413                 1.6720                 2.4656
 Frc consts  --      0.0628                 0.0692                 0.1103
 IR Inten    --     14.6680                72.1158                73.0949
 RamAct Fr= 1--      0.4215                 0.4643                 0.6804
  Dep-P Fr= 1--      0.7149                 0.7155                 0.7478
  Dep-U Fr= 1--      0.8337                 0.8342                 0.8557
 Alpha2 Fr= 1--      0.0003                 0.0003                 0.0000
 Beta2  Fr= 1--      0.0586                 0.0645                 0.0970
 AlphaG Fr= 1--     -0.0012                 0.0002                 0.0005
 Gamma2 Fr= 1--     -0.1866                 0.3361                 0.1224
 Delta2 Fr= 1--     -0.1870                 0.2497                 0.1922
 Raman1 Fr= 1--       1.686                  1.857                  2.722
 ROA1   Fr= 1--     -23.896                 40.255                 17.899
 CID1   Fr= 1--     -14.174                 21.676                  6.577
 Raman2 Fr= 1--       0.703                  0.775                  1.164
 ROA2   Fr= 1--      -2.982                  6.069                  1.399
 CID2   Fr= 1--      -4.243                  7.835                  1.201
 Raman3 Fr= 1--       1.406                  1.549                  2.329
 ROA3   Fr= 1--     -23.896                 40.255                 17.899
 CID3   Fr= 1--     -17.000                 25.985                  7.686
 RC180  Fr= 1--       0.667                  0.668                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06   0.04    -0.02   0.05  -0.01    -0.02  -0.01  -0.09
     2   6    -0.04  -0.01   0.03    -0.03   0.03   0.00    -0.03   0.01  -0.04
     3   6    -0.00  -0.02   0.03    -0.02   0.01  -0.01    -0.02  -0.04  -0.11
     4   6     0.01  -0.01   0.02    -0.03   0.01   0.01     0.02  -0.03  -0.06
     5   8    -0.01  -0.00  -0.02    -0.02   0.03   0.03    -0.00   0.05   0.11
     6   6    -0.04  -0.02  -0.00     0.01   0.03   0.01     0.01   0.00   0.01
     7   8     0.07  -0.02  -0.01     0.05   0.07  -0.00     0.17  -0.01   0.01
     8   1     0.00  -0.10   0.04    -0.03   0.06  -0.01    -0.09   0.04  -0.09
     9   8     0.04   0.16  -0.04    -0.05  -0.07  -0.03    -0.07  -0.05  -0.00
    10   1    -0.10  -0.03   0.02    -0.04   0.04   0.00     0.01   0.06  -0.04
    11   1     0.03  -0.02   0.03    -0.03   0.02  -0.01    -0.11  -0.11  -0.11
    12   8    -0.08   0.04  -0.01     0.06  -0.07  -0.00    -0.08   0.10   0.07
    13   6     0.00   0.01   0.04    -0.04  -0.01  -0.01     0.01  -0.00  -0.01
    14   1     0.04   0.01   0.02    -0.05  -0.01   0.00    -0.02  -0.17  -0.06
    15   8     0.06  -0.11  -0.01     0.07  -0.04  -0.01     0.00   0.00  -0.03
    16   1    -0.05   0.03  -0.00     0.03   0.07   0.00     0.09  -0.03   0.01
    17   1     0.15   0.08  -0.16     0.06   0.12   0.02    -0.10  -0.19   0.71
    18   1    -0.23   0.47   0.33    -0.05  -0.03   0.19    -0.12   0.06   0.33
    19   1    -0.34   0.04  -0.36     0.32  -0.06   0.31    -0.21   0.03   0.14
    20   8    -0.02   0.00  -0.02    -0.05   0.01   0.00     0.04  -0.03   0.01
    21   1     0.02   0.00   0.10    -0.05  -0.00  -0.05     0.03  -0.01   0.03
    22   1     0.02   0.08   0.04    -0.04  -0.05  -0.01    -0.02   0.04  -0.01
    23   1     0.31  -0.31  -0.08     0.60  -0.52  -0.16    -0.14   0.08   0.00
    24   1    -0.01   0.01  -0.06    -0.10   0.01  -0.01     0.12  -0.02   0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --    298.9530               312.8648               327.2175
 Red. masses --      2.1389                 1.7540                 1.8959
 Frc consts  --      0.1126                 0.1012                 0.1196
 IR Inten    --     57.0983                40.3156               127.1143
 RamAct Fr= 1--      0.3952                 0.5984                 2.6807
  Dep-P Fr= 1--      0.0874                 0.3825                 0.3366
  Dep-U Fr= 1--      0.1608                 0.5533                 0.5037
 Alpha2 Fr= 1--      0.0071                 0.0047                 0.0246
 Beta2  Fr= 1--      0.0106                 0.0552                 0.2250
 AlphaG Fr= 1--     -0.0024                -0.0025                -0.0018
 Gamma2 Fr= 1--     -0.1063                 0.0170                -0.4448
 Delta2 Fr= 1--     -0.0294                -0.0191                -0.1096
 Raman1 Fr= 1--       1.581                  2.394                 10.723
 ROA1   Fr= 1--     -11.142                  1.016                -46.206
 CID1   Fr= 1--      -7.047                  0.425                 -4.309
 Raman2 Fr= 1--       0.127                  0.662                  2.700
 ROA2   Fr= 1--      -2.316                  0.560                 -9.798
 CID2   Fr= 1--     -18.221                  0.846                 -3.628
 Raman3 Fr= 1--       0.254                  1.324                  5.401
 ROA3   Fr= 1--     -11.142                  1.016                -46.206
 CID3   Fr= 1--     -43.833                  0.767                 -8.555
 RC180  Fr= 1--      -0.678                  0.107                  0.007
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.07     0.02   0.04  -0.07    -0.05  -0.00   0.05
     2   6     0.02   0.01   0.07     0.07  -0.01  -0.09    -0.05   0.01   0.05
     3   6    -0.00  -0.00   0.08     0.01   0.02  -0.03    -0.03  -0.02   0.03
     4   6     0.01  -0.01   0.04    -0.01  -0.01   0.01     0.02   0.00   0.00
     5   8     0.01  -0.07  -0.06    -0.01  -0.00   0.06     0.02  -0.03  -0.02
     6   6     0.02   0.05   0.02     0.03  -0.01  -0.04    -0.01   0.03   0.04
     7   8     0.03   0.06  -0.05    -0.08  -0.04   0.06    -0.03   0.03  -0.01
     8   1     0.03  -0.08   0.07     0.04   0.14  -0.06    -0.04  -0.04   0.05
     9   8     0.05  -0.10  -0.07     0.02  -0.05   0.03    -0.03  -0.05  -0.07
    10   1    -0.06   0.01   0.06     0.15  -0.01  -0.08    -0.12   0.05   0.05
    11   1     0.05   0.03   0.08    -0.06   0.03  -0.03     0.01  -0.02   0.03
    12   8    -0.06   0.01  -0.03     0.06   0.00   0.05    -0.03  -0.06  -0.03
    13   6     0.02  -0.03   0.01    -0.01  -0.02  -0.01     0.09   0.03  -0.03
    14   1     0.03   0.07   0.05    -0.04  -0.05   0.01     0.01   0.04   0.00
    15   8    -0.08   0.12   0.00    -0.05   0.07   0.00    -0.05   0.04  -0.03
    16   1    -0.03   0.14   0.02     0.09  -0.08  -0.04    -0.02   0.09   0.04
    17   1    -0.23  -0.27   0.48     0.05   0.09  -0.23     0.09   0.15  -0.27
    18   1     0.09  -0.13  -0.04    -0.09   0.17   0.62    -0.24   0.29   0.65
    19   1    -0.28   0.04  -0.43    -0.23   0.05  -0.53     0.17  -0.07   0.28
    20   8    -0.00   0.00  -0.01    -0.02   0.01   0.00     0.14  -0.00   0.01
    21   1     0.02  -0.02  -0.04    -0.01  -0.01  -0.05     0.08   0.03  -0.04
    22   1     0.06  -0.07   0.01    -0.01  -0.06  -0.01     0.09   0.01  -0.03
    23   1     0.32  -0.30  -0.12     0.17  -0.10  -0.05    -0.24   0.12   0.01
    24   1    -0.01  -0.00  -0.01    -0.02   0.00   0.02     0.16   0.00   0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    342.1318               346.0574               390.2971
 Red. masses --      1.9842                 2.6609                 3.7169
 Frc consts  --      0.1368                 0.1877                 0.3336
 IR Inten    --    182.5837               131.5765                 3.4354
 RamAct Fr= 1--      0.3402                 2.3192                 0.8594
  Dep-P Fr= 1--      0.5702                 0.4814                 0.4174
  Dep-U Fr= 1--      0.7263                 0.6500                 0.5890
 Alpha2 Fr= 1--      0.0012                 0.0125                 0.0060
 Beta2  Fr= 1--      0.0412                 0.2512                 0.0844
 AlphaG Fr= 1--     -0.0036                -0.0069                 0.0101
 Gamma2 Fr= 1--     -0.5398                 0.4407                 0.4109
 Delta2 Fr= 1--     -0.3776                 0.2413                 0.1012
 Raman1 Fr= 1--       1.361                  9.277                  3.438
 ROA1   Fr= 1--     -63.898                 50.030                 42.686
 CID1   Fr= 1--     -46.958                  5.393                 12.417
 Raman2 Fr= 1--       0.494                  3.015                  1.012
 ROA2   Fr= 1--      -9.934                  8.647                  9.053
 CID2   Fr= 1--     -20.102                  2.868                  8.942
 Raman3 Fr= 1--       0.988                  6.030                  2.025
 ROA3   Fr= 1--     -63.898                 50.030                 42.686
 CID3   Fr= 1--     -64.652                  8.297                 21.083
 RC180  Fr= 1--       0.453                  0.300                  0.178
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.02    -0.04  -0.02  -0.03    -0.01   0.01   0.02
     2   6     0.03  -0.01  -0.03    -0.08   0.03  -0.02     0.07  -0.01   0.17
     3   6     0.03  -0.01  -0.02    -0.03  -0.06  -0.04     0.00  -0.01  -0.15
     4   6     0.04  -0.04   0.02     0.03  -0.03  -0.03    -0.07  -0.02  -0.21
     5   8    -0.02  -0.00   0.03    -0.03   0.04   0.06     0.02  -0.04   0.05
     6   6    -0.00   0.01  -0.02    -0.04   0.03   0.01     0.00  -0.01   0.15
     7   8    -0.03  -0.09   0.01    -0.06  -0.04   0.02    -0.06   0.01   0.00
     8   1     0.05  -0.03  -0.02    -0.07   0.01  -0.03    -0.19  -0.03   0.01
     9   8     0.03   0.02   0.02    -0.09   0.10   0.03     0.18  -0.01  -0.05
    10   1     0.06  -0.04  -0.03    -0.07   0.03  -0.02    -0.01   0.10   0.16
    11   1     0.05  -0.00  -0.02    -0.07  -0.09  -0.04     0.02  -0.21  -0.15
    12   8    -0.09   0.13  -0.04     0.04  -0.11   0.04     0.05   0.04   0.07
    13   6     0.04  -0.04   0.03     0.12   0.05  -0.04    -0.11   0.12  -0.04
    14   1     0.06  -0.09   0.02    -0.03  -0.08  -0.03    -0.18  -0.16  -0.21
    15   8    -0.09   0.09   0.02    -0.04   0.03   0.01    -0.08  -0.03  -0.06
    16   1     0.02  -0.02  -0.02     0.01   0.02   0.01     0.00   0.14   0.15
    17   1     0.11   0.05  -0.29    -0.08  -0.07   0.05    -0.01   0.02  -0.15
    18   1     0.06  -0.03  -0.08     0.05  -0.14  -0.51     0.10   0.05  -0.09
    19   1     0.11   0.02   0.68    -0.11  -0.06  -0.38    -0.04   0.01   0.05
    20   8    -0.00  -0.00  -0.02     0.18   0.02   0.01     0.01  -0.02   0.04
    21   1     0.07  -0.04   0.02     0.15   0.04  -0.02    -0.06   0.07   0.21
    22   1     0.08  -0.04   0.02     0.10   0.06  -0.04    -0.30   0.35  -0.06
    23   1     0.40  -0.34  -0.12     0.40  -0.37  -0.11    -0.06  -0.35  -0.11
    24   1     0.04  -0.00   0.12     0.21   0.03   0.02     0.16  -0.00   0.08
                     16                     17                     18
                      A                      A                      A
 Frequencies --    418.0715               430.5450               447.6783
 Red. masses --      5.0289                 1.7119                 2.1150
 Frc consts  --      0.5179                 0.1870                 0.2497
 IR Inten    --     14.9072                92.8111                77.2739
 RamAct Fr= 1--      6.4001                 1.4942                 1.4671
  Dep-P Fr= 1--      0.4447                 0.3258                 0.2835
  Dep-U Fr= 1--      0.6157                 0.4915                 0.4418
 Alpha2 Fr= 1--      0.0401                 0.0142                 0.0158
 Beta2  Fr= 1--      0.6567                 0.1224                 0.1080
 AlphaG Fr= 1--      0.0017                 0.0040                 0.0045
 Gamma2 Fr= 1--      0.1073                 0.3275                -0.4853
 Delta2 Fr= 1--      0.0365                 0.1732                -0.2673
 Raman1 Fr= 1--      25.600                  5.977                  5.869
 ROA1   Fr= 1--      11.474                 36.984                -55.140
 CID1   Fr= 1--       0.448                  6.188                 -9.396
 Raman2 Fr= 1--       7.881                  1.469                  1.296
 ROA2   Fr= 1--       2.284                  6.475                 -9.508
 CID2   Fr= 1--       0.290                  4.409                 -7.335
 Raman3 Fr= 1--      15.761                  2.937                  2.592
 ROA3   Fr= 1--      11.474                 36.984                -55.140
 CID3   Fr= 1--       0.728                 12.591                -21.269
 RC180  Fr= 1--       0.231                 -0.017                 -0.116
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.08   0.05    -0.01   0.06  -0.02    -0.00  -0.05   0.01
     2   6    -0.06  -0.09   0.01     0.04  -0.01  -0.05    -0.04   0.04   0.06
     3   6     0.16   0.12   0.06    -0.06   0.02   0.02     0.05  -0.05  -0.04
     4   6     0.00   0.13   0.03    -0.05   0.01   0.05     0.05  -0.05  -0.02
     5   8    -0.10   0.11  -0.04     0.01  -0.09   0.01     0.00   0.06  -0.03
     6   6    -0.18  -0.08  -0.01     0.02  -0.08  -0.02     0.01   0.11   0.03
     7   8     0.10  -0.08  -0.02     0.03   0.08   0.01    -0.05  -0.07  -0.00
     8   1     0.12  -0.14   0.04     0.01   0.10  -0.01    -0.05  -0.08   0.01
     9   8    -0.07  -0.10  -0.03     0.03   0.04   0.03    -0.04  -0.02  -0.03
    10   1    -0.09  -0.10   0.00     0.08  -0.04  -0.05    -0.09   0.09   0.06
    11   1     0.21   0.20   0.06    -0.09   0.08   0.02     0.05  -0.09  -0.04
    12   8     0.21   0.11  -0.02    -0.04  -0.03  -0.03     0.04  -0.02   0.00
    13   6     0.00   0.08   0.01    -0.00   0.04  -0.02     0.01  -0.04   0.06
    14   1     0.01   0.19   0.03    -0.07   0.03   0.05     0.14  -0.10  -0.02
    15   8    -0.20  -0.12   0.01    -0.02  -0.04   0.01     0.09   0.06  -0.01
    16   1    -0.25  -0.10  -0.01     0.04  -0.13  -0.02    -0.03   0.20   0.03
    17   1     0.06  -0.10   0.08     0.01   0.09   0.08    -0.03  -0.08  -0.08
    18   1    -0.07  -0.07   0.11     0.04   0.01  -0.07    -0.04  -0.00   0.05
    19   1     0.17   0.13  -0.17     0.01  -0.03   0.02    -0.06  -0.03  -0.10
    20   8     0.03   0.02  -0.03     0.01   0.00  -0.04    -0.11   0.02  -0.06
    21   1    -0.02   0.08   0.03    -0.02   0.05  -0.06     0.07  -0.04   0.11
    22   1     0.03   0.11   0.00     0.05   0.00  -0.01     0.03   0.03   0.05
    23   1    -0.11  -0.24  -0.03     0.01  -0.06  -0.00    -0.02   0.17   0.03
    24   1     0.31   0.04   0.37     0.48   0.01   0.79     0.28   0.02   0.80
                     19                     20                     21
                      A                      A                      A
 Frequencies --    476.3030               547.8020               596.9865
 Red. masses --      5.0759                 3.1535                 5.1513
 Frc consts  --      0.6785                 0.5576                 1.0817
 IR Inten    --      7.3540                42.9171                 3.9286
 RamAct Fr= 1--     12.8334                 0.9960                 0.9751
  Dep-P Fr= 1--      0.0743                 0.1952                 0.2459
  Dep-U Fr= 1--      0.1384                 0.3266                 0.3947
 Alpha2 Fr= 1--      0.2391                 0.0137                 0.0117
 Beta2  Fr= 1--      0.2960                 0.0542                 0.0641
 AlphaG Fr= 1--     -0.0203                 0.0089                 0.0125
 Gamma2 Fr= 1--     -0.2934                -0.0770                -0.1796
 Delta2 Fr= 1--     -0.4739                 0.0254                -0.1504
 Raman1 Fr= 1--      51.334                  3.984                  3.900
 ROA1   Fr= 1--     -43.329                 -6.579                -22.054
 CID1   Fr= 1--      -0.844                 -1.651                 -5.654
 Raman2 Fr= 1--       3.552                  0.651                  0.770
 ROA2   Fr= 1--      -3.249                 -2.051                 -3.107
 CID2   Fr= 1--      -0.915                 -3.153                 -4.036
 Raman3 Fr= 1--       7.105                  1.301                  1.540
 ROA3   Fr= 1--     -43.329                 -6.579                -22.054
 CID3   Fr= 1--      -6.098                 -5.056                -14.325
 RC180  Fr= 1--      -0.723                 -0.347                 -0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.15  -0.04     0.05   0.02   0.20    -0.13  -0.08   0.06
     2   6    -0.05   0.08   0.03    -0.02  -0.06  -0.08    -0.14  -0.12   0.01
     3   6     0.07   0.05  -0.13     0.11  -0.09   0.04     0.00   0.07  -0.04
     4   6     0.10  -0.17   0.04    -0.01  -0.11  -0.14     0.07   0.08  -0.02
     5   8    -0.00  -0.16  -0.06    -0.04   0.03   0.07     0.25  -0.13   0.02
     6   6    -0.07  -0.04   0.08     0.02  -0.05  -0.14     0.19  -0.11   0.02
     7   8    -0.09   0.18   0.04    -0.05   0.17  -0.04     0.04  -0.03  -0.03
     8   1    -0.17   0.22  -0.03     0.18   0.01   0.20    -0.27  -0.16   0.05
     9   8    -0.08   0.02  -0.02    -0.06  -0.01   0.02    -0.17   0.12  -0.01
    10   1    -0.07   0.20   0.03    -0.08  -0.33  -0.09    -0.29  -0.27  -0.02
    11   1     0.02   0.07  -0.13     0.36  -0.31   0.04     0.03   0.10  -0.04
    12   8     0.11   0.17   0.03    -0.01   0.03  -0.01     0.13   0.05   0.01
    13   6     0.15  -0.18   0.09    -0.01   0.02  -0.01    -0.07   0.02  -0.01
    14   1     0.23  -0.29   0.05    -0.10  -0.20  -0.14     0.05   0.08  -0.03
    15   8    -0.04  -0.15  -0.02     0.01   0.03   0.03    -0.07   0.14   0.00
    16   1    -0.14   0.02   0.08     0.10  -0.20  -0.13     0.34  -0.17   0.02
    17   1    -0.12   0.11   0.05    -0.10  -0.05  -0.09     0.06   0.09   0.04
    18   1    -0.04  -0.02  -0.08    -0.05  -0.01   0.05    -0.28   0.19  -0.14
    19   1    -0.06   0.14  -0.05    -0.12  -0.01   0.03     0.16   0.07  -0.05
    20   8    -0.01   0.03  -0.03     0.00   0.00   0.01    -0.10  -0.03   0.01
    21   1     0.26  -0.15   0.02     0.13  -0.03   0.25    -0.17   0.02  -0.07
    22   1     0.25  -0.21   0.09    -0.15   0.26  -0.02    -0.11  -0.05  -0.00
    23   1    -0.17  -0.15   0.00     0.13   0.16   0.04     0.06  -0.11  -0.06
    24   1    -0.22   0.00  -0.09     0.04   0.01   0.05    -0.07  -0.02   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    618.8506               665.0052               896.6467
 Red. masses --      3.5156                 4.9323                 1.7615
 Frc consts  --      0.7933                 1.2851                 0.8344
 IR Inten    --     11.9022                28.3402                15.6898
 RamAct Fr= 1--      0.1827                 0.5002                 2.1113
  Dep-P Fr= 1--      0.7466                 0.6259                 0.2768
  Dep-U Fr= 1--      0.8549                 0.7699                 0.4336
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0232
 Beta2  Fr= 1--      0.0260                 0.0642                 0.1526
 AlphaG Fr= 1--      0.0003                 0.0019                 0.0029
 Gamma2 Fr= 1--      0.1362                -0.3102                 0.3040
 Delta2 Fr= 1--      0.0832                -0.1412                 0.2211
 Raman1 Fr= 1--       0.731                  2.001                  8.445
 ROA1   Fr= 1--      15.740                -34.302                 36.254
 CID1   Fr= 1--      21.538                -17.144                  4.293
 Raman2 Fr= 1--       0.312                  0.770                  1.831
 ROA2   Fr= 1--       2.604                 -6.316                  5.526
 CID2   Fr= 1--       8.335                 -8.200                  3.019
 Raman3 Fr= 1--       0.625                  1.540                  3.661
 ROA3   Fr= 1--      15.740                -34.302                 36.254
 CID3   Fr= 1--      25.193                -22.268                  9.902
 RC180  Fr= 1--       0.710                  0.540                 -0.133
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17  -0.02   0.04     0.06   0.05  -0.02    -0.06   0.01  -0.03
     2   6    -0.00  -0.17   0.08     0.04   0.04  -0.07    -0.01  -0.01  -0.01
     3   6    -0.09   0.03  -0.13     0.01  -0.08   0.04    -0.05   0.09   0.12
     4   6     0.06   0.02   0.03     0.19   0.10  -0.11    -0.03  -0.04  -0.09
     5   8    -0.05   0.16  -0.00     0.19   0.22  -0.03    -0.00   0.02  -0.01
     6   6    -0.01  -0.03  -0.13     0.03  -0.07   0.11     0.03  -0.01   0.03
     7   8     0.02   0.08  -0.01    -0.04   0.08   0.02     0.02  -0.03  -0.01
     8   1    -0.51  -0.08   0.03     0.22   0.15  -0.01     0.01  -0.02  -0.03
     9   8     0.17  -0.02   0.00    -0.01   0.01   0.01     0.02   0.00   0.01
    10   1    -0.03  -0.45   0.07     0.08   0.16  -0.06     0.02   0.01  -0.01
    11   1    -0.18   0.04  -0.12     0.02  -0.24   0.04    -0.09   0.18   0.12
    12   8     0.02  -0.04   0.04    -0.13  -0.14  -0.00    -0.00   0.01  -0.01
    13   6     0.08  -0.08   0.06     0.03  -0.06   0.06     0.06  -0.13  -0.04
    14   1     0.20  -0.08   0.03     0.36   0.16  -0.10    -0.25   0.15  -0.09
    15   8    -0.03   0.03   0.03    -0.18  -0.10  -0.01     0.00   0.01  -0.00
    16   1    -0.04  -0.08  -0.13     0.00  -0.19   0.12     0.04  -0.01   0.03
    17   1     0.03   0.20   0.07    -0.05  -0.02  -0.03     0.04   0.13   0.08
    18   1    -0.03   0.14  -0.09     0.05  -0.04   0.04    -0.02   0.03  -0.01
    19   1     0.08  -0.01  -0.03    -0.07  -0.11  -0.04     0.21   0.10  -0.10
    20   8    -0.00   0.01  -0.02    -0.10  -0.01  -0.01     0.01   0.01   0.00
    21   1     0.04  -0.05  -0.08    -0.03  -0.06   0.04     0.32  -0.24   0.51
    22   1     0.18  -0.19   0.06    -0.01  -0.07   0.06    -0.14   0.40  -0.08
    23   1     0.08   0.15   0.04    -0.26  -0.43  -0.05    -0.04  -0.04  -0.01
    24   1    -0.08  -0.00   0.03    -0.15  -0.02   0.09    -0.21  -0.03   0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --    993.2260              1007.4172              1019.9211
 Red. masses --      4.0200                 4.0228                 3.7680
 Frc consts  --      2.3365                 2.4055                 2.3094
 IR Inten    --    223.3107                76.7216                41.9592
 RamAct Fr= 1--      0.2032                 2.9343                 1.4079
  Dep-P Fr= 1--      0.7450                 0.4036                 0.5517
  Dep-U Fr= 1--      0.8539                 0.5751                 0.7111
 Alpha2 Fr= 1--      0.0000                 0.0215                 0.0053
 Beta2  Fr= 1--      0.0289                 0.2812                 0.1668
 AlphaG Fr= 1--     -0.0001                 0.0312                -0.0145
 Gamma2 Fr= 1--     -0.4703                 0.0465                 0.4650
 Delta2 Fr= 1--     -0.4156                 0.0891                 0.2447
 Raman1 Fr= 1--       0.813                 11.737                  5.632
 ROA1   Fr= 1--     -58.444                  7.315                 52.468
 CID1   Fr= 1--     -71.915                  0.623                  9.317
 Raman2 Fr= 1--       0.347                  3.375                  2.002
 ROA2   Fr= 1--      -7.961                  0.403                  9.202
 CID2   Fr= 1--     -22.945                  0.119                  4.596
 Raman3 Fr= 1--       0.694                  6.750                  4.004
 ROA3   Fr= 1--     -58.444                  7.315                 52.468
 CID3   Fr= 1--     -84.220                  1.084                 13.103
 RC180  Fr= 1--       0.708                  0.150                  0.422
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10   0.17    -0.11  -0.05  -0.16     0.23  -0.01  -0.10
     2   6     0.07   0.22   0.09    -0.09   0.06   0.04     0.04  -0.15   0.16
     3   6    -0.07   0.12  -0.05     0.08  -0.12   0.14     0.05   0.15  -0.09
     4   6     0.07   0.05  -0.08     0.19   0.02   0.02     0.05   0.04  -0.01
     5   8     0.03  -0.06   0.08     0.08  -0.07   0.11     0.04  -0.05   0.06
     6   6     0.01   0.01  -0.21    -0.15   0.06  -0.14    -0.13  -0.01  -0.06
     7   8     0.03  -0.15  -0.06    -0.04   0.05   0.03    -0.00   0.08   0.06
     8   1    -0.14  -0.10   0.14    -0.12  -0.05  -0.15     0.10   0.07  -0.09
     9   8    -0.04   0.02  -0.04     0.09  -0.03   0.02    -0.10  -0.00  -0.05
    10   1    -0.06   0.11   0.08     0.09   0.17   0.05     0.00  -0.16   0.15
    11   1    -0.02  -0.02  -0.04     0.06  -0.01   0.14    -0.24   0.23  -0.08
    12   8    -0.05  -0.03   0.03     0.04   0.03  -0.04    -0.12  -0.08   0.05
    13   6     0.04  -0.01   0.02    -0.01   0.07  -0.13     0.01  -0.03  -0.04
    14   1     0.07  -0.12  -0.08     0.06   0.23   0.02    -0.03   0.04  -0.01
    15   8    -0.08  -0.12   0.03    -0.04  -0.05   0.01     0.02   0.04  -0.01
    16   1     0.07  -0.03  -0.19    -0.10   0.16  -0.13    -0.13   0.20  -0.05
    17   1     0.04  -0.13  -0.06    -0.00   0.35   0.21    -0.05  -0.37  -0.24
    18   1     0.36  -0.28   0.24    -0.03   0.06  -0.06    -0.29   0.14  -0.17
    19   1     0.28   0.11  -0.15    -0.15  -0.06   0.07     0.14   0.03  -0.07
    20   8    -0.02  -0.01   0.00    -0.07  -0.03   0.05    -0.01  -0.00   0.01
    21   1    -0.01  -0.01  -0.02    -0.01   0.01   0.10     0.03  -0.08   0.16
    22   1     0.02  -0.05   0.02    -0.19   0.24  -0.13    -0.06   0.16  -0.06
    23   1     0.27   0.34   0.06     0.30   0.33   0.03     0.19   0.21  -0.00
    24   1    -0.07  -0.02   0.04     0.03  -0.02  -0.01    -0.10  -0.02   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1046.3410              1079.1604              1083.6988
 Red. masses --      3.2178                 4.6364                 4.8150
 Frc consts  --      2.0756                 3.1813                 3.3317
 IR Inten    --     56.3832                68.3166               507.0956
 RamAct Fr= 1--      1.7491                 2.0304                 6.6213
  Dep-P Fr= 1--      0.6277                 0.3551                 0.5641
  Dep-U Fr= 1--      0.7713                 0.5241                 0.7213
 Alpha2 Fr= 1--      0.0039                 0.0175                 0.0233
 Beta2  Fr= 1--      0.2248                 0.1774                 0.7960
 AlphaG Fr= 1--     -0.0171                -0.0156                 0.0273
 Gamma2 Fr= 1--      2.2432                -1.8729                 2.4163
 Delta2 Fr= 1--      2.0159                -0.8913                 1.5275
 Raman1 Fr= 1--       6.996                  8.122                 26.485
 ROA1   Fr= 1--     279.860               -208.322                280.839
 CID1   Fr= 1--      40.001                -25.650                 10.604
 Raman2 Fr= 1--       2.698                  2.128                  9.552
 ROA2   Fr= 1--      37.710                -37.819                 45.770
 CID2   Fr= 1--      13.977                -17.770                  4.792
 Raman3 Fr= 1--       5.396                  4.257                 19.103
 ROA3   Fr= 1--     279.860               -208.322                280.839
 CID3   Fr= 1--      51.865                -48.940                 14.701
 RC180  Fr= 1--       0.543                  0.048                  0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.05     0.10   0.09   0.04     0.05   0.07  -0.00
     2   6     0.07   0.08   0.14    -0.08  -0.01   0.02    -0.13   0.02   0.01
     3   6     0.10  -0.08  -0.05    -0.20  -0.06  -0.00    -0.10  -0.07   0.01
     4   6    -0.12  -0.06   0.18    -0.15  -0.18   0.06    -0.09  -0.00   0.00
     5   8     0.04   0.11  -0.08     0.20   0.11  -0.03     0.18   0.01   0.04
     6   6     0.15  -0.06  -0.09    -0.07   0.04  -0.05    -0.12   0.01  -0.07
     7   8    -0.02   0.03   0.02     0.03  -0.03  -0.01     0.01  -0.02  -0.01
     8   1    -0.35  -0.11  -0.06     0.30   0.15   0.05     0.29   0.13   0.01
     9   8    -0.07   0.03  -0.05     0.03  -0.03   0.03     0.07  -0.04   0.04
    10   1     0.01   0.09   0.13    -0.12  -0.09   0.02    -0.10   0.05   0.02
    11   1    -0.03   0.19  -0.04    -0.29   0.05  -0.00    -0.06  -0.16  -0.00
    12   8     0.01  -0.00   0.00     0.07   0.08  -0.04     0.05   0.05  -0.03
    13   6    -0.06  -0.04  -0.07     0.17   0.12  -0.08    -0.24  -0.17   0.15
    14   1    -0.24   0.16   0.16    -0.21  -0.15   0.04     0.12  -0.04   0.01
    15   8    -0.07  -0.05   0.03    -0.04  -0.02   0.01    -0.02  -0.00  -0.01
    16   1     0.19  -0.10  -0.09    -0.01   0.05  -0.04     0.01   0.04  -0.06
    17   1    -0.03  -0.04  -0.03    -0.01  -0.32  -0.18    -0.01  -0.15  -0.08
    18   1     0.12  -0.11   0.10    -0.14   0.10  -0.11    -0.14   0.12  -0.13
    19   1    -0.39  -0.18   0.20     0.06   0.07  -0.03    -0.02   0.02  -0.01
    20   8     0.05   0.02   0.00    -0.13  -0.09   0.08     0.21   0.12  -0.13
    21   1     0.03  -0.11   0.26     0.33   0.12  -0.12    -0.45  -0.17   0.13
    22   1    -0.05   0.29  -0.10     0.19  -0.04  -0.05    -0.12  -0.06   0.11
    23   1     0.04   0.07   0.03     0.06   0.04   0.01     0.18   0.16  -0.00
    24   1    -0.04   0.01   0.03     0.14  -0.05  -0.08    -0.28   0.04   0.20
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1092.7143              1099.8056              1109.2934
 Red. masses --      2.8069                 3.9999                 3.0367
 Frc consts  --      1.9746                 2.8505                 2.2016
 IR Inten    --    154.5912               175.5411                98.8562
 RamAct Fr= 1--      8.9405                 5.0932                 8.4230
  Dep-P Fr= 1--      0.2246                 0.5112                 0.3756
  Dep-U Fr= 1--      0.3669                 0.6766                 0.5461
 Alpha2 Fr= 1--      0.1136                 0.0238                 0.0679
 Beta2  Fr= 1--      0.5467                 0.5743                 0.7666
 AlphaG Fr= 1--     -0.0164                 0.0205                -0.0521
 Gamma2 Fr= 1--     -1.2152                -2.6141                 2.1263
 Delta2 Fr= 1--     -1.1749                -1.4755                 0.8615
 Raman1 Fr= 1--      35.762                 20.373                 33.692
 ROA1   Fr= 1--    -154.258               -298.168                231.695
 CID1   Fr= 1--      -4.313                -14.636                  6.877
 Raman2 Fr= 1--       6.560                  6.892                  9.199
 ROA2   Fr= 1--     -19.766                -50.935                 44.140
 CID2   Fr= 1--      -3.013                 -7.391                  4.798
 Raman3 Fr= 1--      13.120                 13.783                 18.398
 ROA3   Fr= 1--    -154.258               -298.168                231.695
 CID3   Fr= 1--     -11.757                -21.633                 12.593
 RC180  Fr= 1--      -0.266                  0.353                  0.092
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.10  -0.14    -0.07   0.20   0.04    -0.06  -0.06  -0.02
     2   6    -0.02  -0.07   0.15    -0.02  -0.07  -0.08     0.17   0.01   0.06
     3   6    -0.01   0.00   0.14     0.21   0.13  -0.03     0.00   0.05   0.10
     4   6     0.01  -0.06  -0.10     0.01  -0.14   0.11    -0.05  -0.15  -0.04
     5   8    -0.09   0.03  -0.02     0.09   0.02  -0.03     0.11   0.07   0.01
     6   6     0.19  -0.00  -0.04    -0.03   0.14   0.03    -0.17  -0.12  -0.02
     7   8    -0.01  -0.03   0.00     0.01  -0.12  -0.08    -0.02   0.01   0.00
     8   1     0.24   0.06  -0.13    -0.13   0.24   0.03    -0.12  -0.22  -0.03
     9   8    -0.03  -0.01  -0.02     0.03  -0.02   0.03    -0.08   0.04  -0.06
    10   1     0.08   0.04   0.16    -0.03  -0.32  -0.09     0.24   0.09   0.06
    11   1     0.02  -0.13   0.13     0.32   0.16  -0.01     0.03   0.03   0.10
    12   8     0.00   0.02  -0.03    -0.11  -0.09   0.06    -0.01   0.01  -0.00
    13   6    -0.03   0.04   0.08    -0.10   0.03  -0.07    -0.06   0.03   0.06
    14   1     0.09  -0.19  -0.09     0.08  -0.31   0.10     0.12  -0.24  -0.04
    15   8    -0.06  -0.05   0.03    -0.03  -0.04   0.02     0.06   0.08  -0.03
    16   1     0.26   0.15  -0.04    -0.05   0.13   0.04    -0.29  -0.18  -0.02
    17   1     0.02   0.15   0.09     0.05   0.30   0.20     0.03   0.35   0.20
    18   1    -0.32   0.22  -0.19    -0.21   0.16  -0.14     0.17  -0.15   0.11
    19   1     0.10   0.05  -0.05    -0.04  -0.06   0.01     0.19   0.09  -0.08
    20   8     0.01   0.00  -0.02     0.02   0.01   0.01     0.02   0.01  -0.02
    21   1     0.07   0.12  -0.25     0.04   0.02   0.02     0.10   0.10  -0.19
    22   1    -0.06  -0.30   0.11    -0.12   0.09  -0.08    -0.09  -0.24   0.08
    23   1     0.13   0.20   0.04    -0.07  -0.08   0.02    -0.08  -0.14  -0.05
    24   1     0.22   0.04  -0.12     0.16   0.03  -0.07     0.21   0.04  -0.10
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1110.4655              1134.4219              1159.8869
 Red. masses --      2.9171                 3.2406                 3.0550
 Frc consts  --      2.1194                 2.4571                 2.4216
 IR Inten    --     66.6730                12.3208                41.1189
 RamAct Fr= 1--     10.3691                 6.3530                 5.2150
  Dep-P Fr= 1--      0.7486                 0.7361                 0.5857
  Dep-U Fr= 1--      0.8563                 0.8480                 0.7387
 Alpha2 Fr= 1--      0.0002                 0.0015                 0.0160
 Beta2  Fr= 1--      1.4798                 0.8979                 0.6420
 AlphaG Fr= 1--      0.0005                -0.0007                -0.0179
 Gamma2 Fr= 1--      2.9252                -0.8881                -0.1170
 Delta2 Fr= 1--      1.5931                -0.5139                 0.7204
 Raman1 Fr= 1--      41.476                 25.412                 20.860
 ROA1   Fr= 1--     331.795               -101.705                 11.822
 CID1   Fr= 1--       8.000                 -4.002                  0.567
 Raman2 Fr= 1--      17.757                 10.775                  7.704
 ROA2   Fr= 1--      57.459                -17.203                 -8.570
 CID2   Fr= 1--       3.236                 -1.597                 -1.112
 Raman3 Fr= 1--      35.514                 21.550                 15.409
 ROA3   Fr= 1--     331.795               -101.705                 11.822
 CID3   Fr= 1--       9.343                 -4.720                  0.767
 RC180  Fr= 1--       0.713                  0.696                  0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.21   0.00    -0.01   0.08   0.05    -0.02  -0.13   0.01
     2   6     0.09  -0.06   0.08     0.19  -0.10  -0.00     0.12  -0.09  -0.10
     3   6     0.04  -0.11  -0.01    -0.16  -0.11   0.05    -0.00   0.00  -0.01
     4   6    -0.08   0.16  -0.02     0.17  -0.05   0.06    -0.12   0.05  -0.05
     5   8     0.01  -0.02   0.03    -0.05   0.00   0.01     0.08  -0.03   0.02
     6   6    -0.09  -0.07  -0.00     0.01   0.10   0.04     0.00   0.23   0.02
     7   8     0.00  -0.09  -0.06     0.02  -0.02  -0.02    -0.01   0.06   0.02
     8   1    -0.06   0.22  -0.00    -0.10   0.11   0.06    -0.04  -0.18   0.01
     9   8    -0.05   0.00  -0.03    -0.10   0.04  -0.05    -0.05   0.03  -0.02
    10   1     0.15  -0.09   0.08     0.21  -0.34  -0.02     0.21  -0.18  -0.11
    11   1     0.23  -0.29  -0.01    -0.32  -0.03   0.04     0.06  -0.04  -0.02
    12   8     0.03   0.00  -0.03     0.06   0.06  -0.04     0.02   0.00  -0.00
    13   6     0.11  -0.04   0.05    -0.09   0.01  -0.11     0.05  -0.03   0.10
    14   1    -0.25   0.36  -0.03     0.38  -0.04   0.07    -0.39   0.10  -0.06
    15   8     0.04   0.05  -0.02    -0.01  -0.03   0.02    -0.08  -0.11   0.03
    16   1    -0.14  -0.04   0.00    -0.15   0.18   0.04     0.08   0.54   0.03
    17   1     0.03   0.16   0.11     0.01  -0.13  -0.10    -0.00   0.19   0.10
    18   1    -0.17   0.10  -0.11    -0.02  -0.02   0.01     0.06  -0.06   0.05
    19   1    -0.42  -0.19   0.18     0.04   0.06  -0.04    -0.07  -0.04   0.04
    20   8    -0.03  -0.01   0.01     0.03   0.01   0.01     0.00   0.00  -0.02
    21   1     0.02  -0.05   0.05    -0.30  -0.06   0.14     0.12   0.02  -0.07
    22   1     0.18  -0.02   0.05    -0.08   0.28  -0.14    -0.00  -0.21   0.12
    23   1     0.01  -0.01  -0.03    -0.14  -0.12   0.02     0.17   0.23   0.06
    24   1    -0.15  -0.04   0.05    -0.13  -0.01   0.10     0.01   0.00  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1190.1959              1230.4165              1244.5905
 Red. masses --      1.1581                 1.2523                 1.1720
 Frc consts  --      0.9666                 1.1170                 1.0697
 IR Inten    --     13.8124                 6.1637                13.4250
 RamAct Fr= 1--      2.7406                 2.2926                 5.9104
  Dep-P Fr= 1--      0.7480                 0.5706                 0.7430
  Dep-U Fr= 1--      0.8558                 0.7266                 0.8526
 Alpha2 Fr= 1--      0.0001                 0.0078                 0.0007
 Beta2  Fr= 1--      0.3909                 0.2776                 0.8398
 AlphaG Fr= 1--     -0.0008                -0.0004                 0.0062
 Gamma2 Fr= 1--     -2.9554                 1.5343                 0.3908
 Delta2 Fr= 1--     -2.0006                 1.3397                -0.0393
 Raman1 Fr= 1--      10.962                  9.170                 23.641
 ROA1   Fr= 1--    -347.738                190.168                 36.260
 CID1   Fr= 1--     -31.721                 20.737                  1.534
 Raman2 Fr= 1--       4.691                  3.331                 10.078
 ROA2   Fr= 1--     -54.924                 26.106                  9.695
 CID2   Fr= 1--     -11.709                  7.836                  0.962
 Raman3 Fr= 1--       9.382                  6.663                 20.156
 ROA3   Fr= 1--    -347.738                190.168                 36.260
 CID3   Fr= 1--     -37.065                 28.541                  1.799
 RC180  Fr= 1--       0.712                  0.453                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.04   0.00    -0.06  -0.03   0.08     0.02  -0.00   0.03
     2   6     0.01  -0.02   0.01     0.04  -0.02  -0.03    -0.01  -0.02   0.02
     3   6    -0.01   0.02  -0.03    -0.02   0.00  -0.04    -0.06   0.02  -0.06
     4   6    -0.03   0.01   0.04     0.02  -0.00   0.03     0.03   0.01  -0.00
     5   8     0.00   0.01  -0.02    -0.01   0.01  -0.00    -0.01   0.00   0.01
     6   6     0.01  -0.02  -0.00    -0.00  -0.05   0.01     0.00  -0.02   0.00
     7   8    -0.01   0.01  -0.00     0.02   0.00  -0.01    -0.03  -0.01  -0.01
     8   1     0.33  -0.09   0.01     0.04   0.20   0.11     0.60  -0.12   0.03
     9   8    -0.01  -0.00  -0.00    -0.01  -0.02   0.01    -0.00   0.01  -0.00
    10   1     0.15   0.23   0.03     0.39   0.58   0.02    -0.12  -0.05   0.02
    11   1     0.24  -0.27  -0.04     0.08   0.13  -0.03    -0.04   0.35  -0.06
    12   8    -0.01   0.00   0.01     0.01  -0.00   0.01     0.03  -0.02   0.00
    13   6     0.03   0.01  -0.05    -0.02  -0.01  -0.01    -0.01  -0.02  -0.01
    14   1     0.06  -0.29   0.03     0.02   0.08   0.03     0.13   0.03   0.00
    15   8    -0.01  -0.00  -0.00    -0.01   0.00  -0.01     0.00   0.00  -0.00
    16   1     0.00   0.09  -0.01     0.01   0.12   0.01    -0.03   0.05  -0.00
    17   1     0.02   0.24   0.15    -0.01  -0.17  -0.10     0.02   0.38   0.23
    18   1    -0.08   0.05  -0.05    -0.29   0.19  -0.20     0.12  -0.08   0.08
    19   1     0.16   0.08  -0.09    -0.02  -0.02   0.02    -0.32  -0.16   0.16
    20   8     0.00  -0.01   0.03    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.36  -0.05   0.07     0.23   0.00   0.01     0.14  -0.01   0.02
    22   1     0.37   0.18  -0.07    -0.21  -0.02   0.00    -0.16   0.01  -0.01
    23   1     0.07   0.08   0.00     0.17   0.17  -0.01     0.01   0.03   0.00
    24   1    -0.28  -0.05   0.16     0.16   0.03  -0.08     0.08   0.02  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1271.7651              1279.7980              1311.2155
 Red. masses --      1.2433                 1.3139                 1.1533
 Frc consts  --      1.1848                 1.2679                 1.1682
 IR Inten    --     50.1201                69.0081                14.8607
 RamAct Fr= 1--      4.1533                 4.7332                 2.5842
  Dep-P Fr= 1--      0.4543                 0.2094                 0.7495
  Dep-U Fr= 1--      0.6247                 0.3462                 0.8568
 Alpha2 Fr= 1--      0.0250                 0.0627                 0.0000
 Beta2  Fr= 1--      0.4324                 0.2731                 0.3690
 AlphaG Fr= 1--     -0.0054                 0.0310                -0.0005
 Gamma2 Fr= 1--     -0.1480                -0.3601                 0.6670
 Delta2 Fr= 1--     -1.0490                -0.8981                 0.6815
 Raman1 Fr= 1--      16.613                 18.933                 10.337
 ROA1   Fr= 1--     -47.776                -63.306                 85.834
 CID1   Fr= 1--      -2.876                 -3.344                  8.304
 Raman2 Fr= 1--       5.189                  3.278                  4.428
 ROA2   Fr= 1--       4.839                 -1.457                 10.555
 CID2   Fr= 1--       0.933                 -0.444                  2.384
 Raman3 Fr= 1--      10.379                  6.555                  8.857
 ROA3   Fr= 1--     -47.776                -63.306                 85.834
 CID3   Fr= 1--      -4.603                 -9.657                  9.691
 RC180  Fr= 1--       0.249                 -0.308                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.02    -0.01  -0.04   0.01     0.03   0.00   0.01
     2   6     0.01  -0.01  -0.02    -0.01   0.09   0.03     0.01   0.02  -0.00
     3   6     0.02   0.02   0.05    -0.01   0.01  -0.02    -0.00  -0.00  -0.02
     4   6    -0.02  -0.05  -0.10    -0.00   0.00  -0.02    -0.05  -0.02  -0.01
     5   8    -0.00   0.01   0.01     0.00  -0.02   0.01    -0.01  -0.01  -0.00
     6   6    -0.01  -0.01   0.02     0.02   0.08  -0.06    -0.06   0.02   0.05
     7   8     0.01  -0.00  -0.00    -0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1    -0.21   0.06   0.02     0.15  -0.16   0.00    -0.06  -0.18  -0.01
     9   8     0.00  -0.00   0.01    -0.00  -0.04  -0.01    -0.00  -0.01  -0.00
    10   1     0.01   0.13  -0.02     0.50  -0.26   0.05     0.12  -0.11   0.00
    11   1    -0.08   0.57   0.07     0.09   0.19  -0.02     0.01  -0.08  -0.02
    12   8     0.02  -0.02  -0.00     0.00  -0.01   0.01    -0.01   0.01   0.00
    13   6     0.02   0.03   0.01     0.01   0.00   0.01    -0.02  -0.01  -0.02
    14   1     0.14  -0.08  -0.10    -0.07   0.02  -0.02     0.50   0.39   0.00
    15   8    -0.00  -0.00  -0.01     0.01  -0.01   0.03    -0.00  -0.01  -0.01
    16   1     0.09   0.03   0.02    -0.08  -0.33  -0.06     0.57  -0.23   0.07
    17   1    -0.01  -0.09  -0.05    -0.01  -0.03  -0.02     0.01   0.11   0.06
    18   1    -0.04   0.03  -0.03    -0.32   0.21  -0.20    -0.07   0.04  -0.04
    19   1    -0.34  -0.17   0.17    -0.05  -0.02   0.02     0.09   0.04  -0.04
    20   8     0.00  -0.01   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    21   1    -0.39   0.02  -0.07    -0.06   0.00  -0.02     0.15  -0.01   0.02
    22   1     0.33   0.01   0.00    -0.00  -0.02   0.02     0.18   0.05  -0.03
    23   1     0.09   0.09  -0.00    -0.33  -0.36   0.01     0.14   0.13  -0.00
    24   1    -0.21  -0.04   0.10    -0.06  -0.01   0.03     0.08   0.01  -0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1336.5493              1344.4574              1355.6619
 Red. masses --      1.3357                 1.2527                 1.2811
 Frc consts  --      1.4059                 1.3341                 1.3872
 IR Inten    --     45.7157                27.0036                 4.2987
 RamAct Fr= 1--      0.7343                 3.6295                 2.2363
  Dep-P Fr= 1--      0.6790                 0.6084                 0.4166
  Dep-U Fr= 1--      0.8088                 0.7565                 0.5882
 Alpha2 Fr= 1--      0.0009                 0.0095                 0.0156
 Beta2  Fr= 1--      0.0990                 0.4576                 0.2192
 AlphaG Fr= 1--      0.0042                 0.0087                 0.0232
 Gamma2 Fr= 1--     -0.3180                -0.1073                -0.1641
 Delta2 Fr= 1--     -0.1763                 1.4757                -0.0129
 Raman1 Fr= 1--       2.937                 14.518                  8.945
 ROA1   Fr= 1--     -36.164                 36.919                -16.163
 CID1   Fr= 1--     -12.312                  2.543                 -1.807
 Raman2 Fr= 1--       1.188                  5.492                  2.631
 ROA2   Fr= 1--      -6.221                -14.382                 -3.835
 CID2   Fr= 1--      -5.237                 -2.619                 -1.458
 Raman3 Fr= 1--       2.376                 10.983                  5.262
 ROA3   Fr= 1--     -36.164                 36.919                -16.163
 CID3   Fr= 1--     -15.222                  3.361                 -3.072
 RC180  Fr= 1--       0.618                  0.513                  0.176
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01  -0.05    -0.07  -0.02  -0.03     0.01  -0.01   0.01
     2   6    -0.02  -0.01   0.01    -0.04  -0.03   0.05     0.01  -0.02  -0.01
     3   6    -0.03   0.06   0.04     0.01  -0.03  -0.02     0.02  -0.03  -0.03
     4   6    -0.06   0.05  -0.02     0.02  -0.04   0.00    -0.04  -0.07  -0.03
     5   8     0.02  -0.01   0.02    -0.00   0.00  -0.01     0.00  -0.00   0.05
     6   6     0.02   0.01  -0.02    -0.03  -0.00   0.01     0.06   0.00  -0.07
     7   8     0.03   0.01   0.02     0.02   0.00  -0.01    -0.01  -0.00  -0.01
     8   1     0.05   0.09  -0.04     0.27   0.51   0.02     0.02   0.09   0.01
     9   8     0.00   0.02  -0.01     0.00   0.04  -0.03     0.00  -0.00   0.01
    10   1     0.06  -0.08   0.01     0.25  -0.18   0.07    -0.22   0.20  -0.02
    11   1     0.36  -0.10   0.03     0.29   0.19  -0.02     0.02   0.08  -0.04
    12   8     0.02  -0.02  -0.01    -0.02   0.00   0.02    -0.02   0.01   0.02
    13   6    -0.04  -0.04  -0.03     0.01   0.03   0.02    -0.02   0.01   0.01
    14   1     0.45  -0.23  -0.00    -0.11   0.24  -0.00     0.21   0.62  -0.02
    15   8     0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.02
    16   1    -0.16   0.14  -0.03     0.26   0.00   0.02    -0.38   0.27  -0.08
    17   1    -0.02  -0.33  -0.18    -0.01  -0.16  -0.09     0.01   0.09   0.05
    18   1     0.14  -0.09   0.08     0.31  -0.20   0.18    -0.04   0.03  -0.02
    19   1    -0.23  -0.12   0.11     0.17   0.08  -0.08     0.20   0.10  -0.09
    20   8    -0.01   0.01   0.02     0.01  -0.01  -0.01     0.00  -0.00   0.01
    21   1     0.32  -0.04   0.08    -0.14   0.03  -0.05    -0.00   0.01  -0.01
    22   1     0.27   0.09  -0.05    -0.07  -0.05   0.02     0.27  -0.01   0.00
    23   1    -0.08  -0.08   0.01     0.00   0.01   0.01    -0.20  -0.20   0.01
    24   1     0.17   0.03  -0.10    -0.10  -0.02   0.06     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1367.8138              1391.9973              1406.3477
 Red. masses --      1.2143                 1.3138                 1.4023
 Frc consts  --      1.3386                 1.4999                 1.6341
 IR Inten    --      6.3211                37.9380                 3.1905
 RamAct Fr= 1--      1.0998                 5.5216                 5.6940
  Dep-P Fr= 1--      0.4931                 0.7026                 0.7256
  Dep-U Fr= 1--      0.6605                 0.8253                 0.8410
 Alpha2 Fr= 1--      0.0056                 0.0046                 0.0024
 Beta2  Fr= 1--      0.1211                 0.7595                 0.7981
 AlphaG Fr= 1--      0.0037                 0.0005                 0.0057
 Gamma2 Fr= 1--      0.7827                -2.4788                 1.5861
 Delta2 Fr= 1--      0.4203                -1.4029                -0.5188
 Raman1 Fr= 1--       4.399                 22.086                 22.776
 ROA1   Fr= 1--      88.592               -282.861                135.668
 CID1   Fr= 1--      20.138                -12.807                  5.957
 Raman2 Fr= 1--       1.453                  9.114                  9.577
 ROA2   Fr= 1--      15.424                -48.269                 42.218
 CID2   Fr= 1--      10.615                 -5.296                  4.408
 Raman3 Fr= 1--       2.906                 18.228                 19.155
 ROA3   Fr= 1--      88.592               -282.861                135.668
 CID3   Fr= 1--      30.487                -15.518                  7.083
 RC180  Fr= 1--       0.321                  0.651                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.04    -0.04   0.03  -0.01     0.00   0.02  -0.01
     2   6     0.04  -0.00  -0.02     0.02   0.06  -0.01     0.03  -0.09   0.02
     3   6    -0.07  -0.01  -0.01    -0.00  -0.04  -0.02    -0.05   0.02  -0.00
     4   6     0.01  -0.03   0.02     0.06  -0.01  -0.01     0.07  -0.01  -0.01
     5   8    -0.01   0.01   0.00     0.00   0.01  -0.01     0.00  -0.01  -0.01
     6   6     0.00  -0.01   0.02     0.01  -0.05   0.06    -0.05   0.09  -0.06
     7   8     0.01   0.01   0.03     0.01   0.00   0.01     0.01   0.00   0.00
     8   1    -0.06  -0.46  -0.09     0.15  -0.22  -0.03    -0.00  -0.06  -0.01
     9   8    -0.00  -0.01   0.01     0.00  -0.01   0.00    -0.00   0.01   0.01
    10   1    -0.23  -0.00  -0.04     0.03  -0.32  -0.02    -0.26   0.46   0.01
    11   1     0.64   0.15  -0.02     0.07   0.17  -0.02     0.22  -0.02  -0.00
    12   8    -0.01  -0.00   0.02    -0.01   0.00   0.01     0.01  -0.01   0.00
    13   6     0.04   0.03   0.00    -0.06  -0.03   0.01    -0.04  -0.03   0.01
    14   1     0.06   0.12   0.02    -0.35   0.08  -0.03    -0.36   0.03  -0.02
    15   8    -0.00  -0.00  -0.01    -0.01  -0.00  -0.03     0.01  -0.00   0.02
    16   1    -0.06   0.02   0.02    -0.22   0.03   0.06     0.34  -0.33  -0.05
    17   1    -0.01  -0.17  -0.10    -0.00  -0.11  -0.07    -0.00  -0.03  -0.02
    18   1    -0.06   0.04  -0.04    -0.06   0.04  -0.04     0.06  -0.04   0.03
    19   1     0.02   0.01  -0.02     0.12   0.06  -0.05    -0.06  -0.04   0.03
    20   8     0.01  -0.01  -0.02    -0.02   0.03   0.02    -0.01   0.02   0.01
    21   1    -0.06   0.04  -0.05    -0.05  -0.05   0.07    -0.09  -0.05   0.08
    22   1    -0.35  -0.06   0.02     0.49   0.04  -0.02     0.28  -0.00  -0.01
    23   1     0.07   0.07  -0.00     0.24   0.25  -0.02    -0.19  -0.21   0.01
    24   1    -0.20  -0.04   0.11     0.34   0.08  -0.17     0.26   0.06  -0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.8413              1430.7111              1436.6964
 Red. masses --      1.5856                 1.2770                 1.5021
 Frc consts  --      1.8939                 1.5401                 1.8268
 IR Inten    --      6.3778                40.7346                 3.4958
 RamAct Fr= 1--      8.7312                 3.3372                 3.0463
  Dep-P Fr= 1--      0.6959                 0.7244                 0.6208
  Dep-U Fr= 1--      0.8207                 0.8402                 0.7660
 Alpha2 Fr= 1--      0.0083                 0.0015                 0.0072
 Beta2  Fr= 1--      1.1943                 0.4673                 0.3889
 AlphaG Fr= 1--     -0.0199                 0.0159                 0.0278
 Gamma2 Fr= 1--     -0.6940                 0.0771                 0.3303
 Delta2 Fr= 1--      0.0593                 0.2879                 0.0105
 Raman1 Fr= 1--      34.925                 13.349                 12.185
 ROA1   Fr= 1--     -64.724                 16.612                 32.046
 CID1   Fr= 1--      -1.853                  1.244                  2.630
 Raman2 Fr= 1--      14.331                  5.608                  4.667
 ROA2   Fr= 1--     -17.130                 -0.453                  7.843
 CID2   Fr= 1--      -1.195                 -0.081                  1.680
 Raman3 Fr= 1--      28.663                 11.216                  9.334
 ROA3   Fr= 1--     -64.724                 16.612                 32.046
 CID3   Fr= 1--      -2.258                  1.481                  3.433
 RC180  Fr= 1--       0.641                  0.680                  0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.04   0.02    -0.06   0.03   0.00     0.10   0.00   0.00
     2   6    -0.13  -0.03  -0.02     0.03   0.04  -0.02    -0.02  -0.00  -0.00
     3   6    -0.06   0.06  -0.00     0.04  -0.01  -0.00    -0.04  -0.13   0.00
     4   6     0.04  -0.06   0.01     0.00   0.01  -0.00    -0.00   0.09  -0.01
     5   8    -0.00   0.01   0.00    -0.00   0.01  -0.01     0.00  -0.00  -0.01
     6   6     0.02  -0.05  -0.00    -0.06  -0.08  -0.04    -0.01  -0.02  -0.02
     7   8    -0.01  -0.01  -0.00     0.01   0.00   0.01    -0.03  -0.01  -0.02
     8   1    -0.33  -0.26  -0.02     0.14  -0.23  -0.02    -0.31   0.11   0.01
     9   8     0.01   0.02  -0.02     0.00  -0.01   0.01    -0.00  -0.00  -0.00
    10   1     0.61   0.03   0.04    -0.06  -0.07  -0.03     0.07   0.01   0.01
    11   1     0.14  -0.21  -0.01    -0.15   0.01   0.00     0.29   0.49   0.00
    12   8     0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.02   0.02   0.02
    13   6     0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.04  -0.01  -0.00
    14   1    -0.12   0.21   0.00    -0.02  -0.05  -0.01    -0.01  -0.36  -0.01
    15   8     0.00   0.01   0.01     0.02   0.01   0.05     0.01   0.01   0.01
    16   1    -0.06   0.30  -0.01     0.49   0.66  -0.06     0.13   0.17  -0.02
    17   1     0.01   0.12   0.08    -0.00  -0.13  -0.08     0.01   0.25   0.14
    18   1     0.20  -0.13   0.13    -0.06   0.04  -0.04     0.00  -0.00   0.01
    19   1    -0.15  -0.08   0.07     0.01   0.01  -0.01     0.28   0.14  -0.13
    20   8    -0.00   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01   0.00
    21   1    -0.15  -0.03   0.05    -0.13  -0.03   0.02     0.31   0.03  -0.03
    22   1     0.02  -0.03   0.00    -0.05   0.02  -0.00     0.15   0.06  -0.01
    23   1    -0.04  -0.04   0.00    -0.25  -0.25   0.03    -0.09  -0.09   0.01
    24   1     0.10   0.03  -0.05     0.11   0.03  -0.06    -0.02  -0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1442.3435              1447.6367              1512.0377
 Red. masses --      1.3384                 1.6230                 1.0893
 Frc consts  --      1.6405                 2.0040                 1.4673
 IR Inten    --     45.1314                79.4427                 1.6357
 RamAct Fr= 1--      4.3251                 5.3566                 6.2469
  Dep-P Fr= 1--      0.2688                 0.6279                 0.7253
  Dep-U Fr= 1--      0.4237                 0.7714                 0.8408
 Alpha2 Fr= 1--      0.0486                 0.0119                 0.0027
 Beta2  Fr= 1--      0.3054                 0.6887                 0.8753
 AlphaG Fr= 1--      0.0312                 0.0106                -0.0034
 Gamma2 Fr= 1--     -1.1548                 0.9948                -0.1902
 Delta2 Fr= 1--      0.1432                -0.3708                 0.0382
 Raman1 Fr= 1--      17.300                 21.426                 24.988
 ROA1   Fr= 1--    -106.278                 83.634                -17.036
 CID1   Fr= 1--      -6.143                  3.903                 -0.682
 Raman2 Fr= 1--       3.665                  8.265                 10.504
 ROA2   Fr= 1--     -28.861                 26.842                 -4.870
 CID2   Fr= 1--      -7.874                  3.248                 -0.464
 Raman3 Fr= 1--       7.331                 16.529                 21.008
 ROA3   Fr= 1--    -106.278                 83.634                -17.036
 CID3   Fr= 1--     -14.498                  5.060                 -0.811
 RC180  Fr= 1--      -0.153                  0.543                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.07   0.01     0.04  -0.08  -0.01     0.00  -0.00  -0.00
     2   6    -0.03  -0.05  -0.01     0.05   0.09   0.00     0.00   0.00   0.00
     3   6     0.05  -0.01  -0.01    -0.08   0.09   0.01    -0.01   0.01  -0.00
     4   6     0.03   0.00   0.00     0.08  -0.04   0.01     0.01  -0.01   0.00
     5   8    -0.00  -0.00  -0.00    -0.01   0.01  -0.01     0.00   0.00  -0.00
     6   6    -0.00   0.01  -0.00    -0.02  -0.05   0.00    -0.00   0.00  -0.00
     7   8     0.01   0.00   0.02    -0.01  -0.00  -0.02     0.00  -0.00   0.00
     8   1     0.16  -0.38  -0.03    -0.11   0.38   0.03    -0.01   0.01  -0.00
     9   8     0.00   0.02  -0.01    -0.00  -0.03   0.01    -0.00  -0.00   0.00
    10   1     0.16   0.15   0.02    -0.22  -0.25  -0.04    -0.00  -0.00  -0.00
    11   1    -0.24   0.01  -0.01     0.23  -0.25  -0.01     0.02  -0.04   0.00
    12   8    -0.00   0.00  -0.00     0.02  -0.01  -0.01     0.00  -0.00  -0.00
    13   6    -0.09   0.06   0.01    -0.07   0.05   0.00     0.00  -0.06   0.05
    14   1    -0.13   0.00  -0.00    -0.24   0.13   0.00    -0.05   0.05   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00  -0.00
    16   1     0.02  -0.02  -0.00     0.16   0.20  -0.00    -0.00  -0.00  -0.00
    17   1    -0.01  -0.15  -0.08     0.00   0.12   0.07     0.00  -0.00   0.00
    18   1     0.12  -0.08   0.07    -0.19   0.12  -0.11    -0.00   0.00  -0.00
    19   1    -0.01  -0.00  -0.00    -0.21  -0.11   0.10    -0.02  -0.01   0.01
    20   8     0.03  -0.04  -0.01     0.02  -0.03  -0.01    -0.01  -0.00   0.01
    21   1     0.50   0.14  -0.12     0.30   0.09  -0.03     0.01   0.13  -0.69
    22   1     0.25  -0.04   0.01     0.21  -0.09   0.01    -0.04   0.70  -0.04
    23   1    -0.02  -0.02   0.00    -0.02  -0.01   0.01    -0.00  -0.00  -0.00
    24   1    -0.46  -0.12   0.23    -0.30  -0.08   0.15     0.02  -0.00  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2978.9809              2980.5444              2987.5747
 Red. masses --      1.0795                 1.0740                 1.0803
 Frc consts  --      5.6444                 5.6215                 5.6810
 IR Inten    --      1.3485                58.7688                 2.9133
 RamAct Fr= 1--     28.2961               303.3904               265.2733
  Dep-P Fr= 1--      0.2247                 0.1320                 0.1652
  Dep-U Fr= 1--      0.3669                 0.2333                 0.2835
 Alpha2 Fr= 1--      0.3596                 4.9071                 3.9451
 Beta2  Fr= 1--      1.7304                11.7959                12.5350
 AlphaG Fr= 1--     -0.0078                 1.1167                 0.1726
 Gamma2 Fr= 1--      3.9874                 5.2915                -4.1245
 Delta2 Fr= 1--      2.1634                 2.4770                -1.4384
 Raman1 Fr= 1--     113.184               1213.562               1061.093
 ROA1   Fr= 1--     452.018                587.246               -441.984
 CID1   Fr= 1--       3.994                  0.484                 -0.417
 Raman2 Fr= 1--      20.764                141.551                150.420
 ROA2   Fr= 1--      78.390                107.179                -87.482
 CID2   Fr= 1--       3.775                  0.757                 -0.582
 Raman3 Fr= 1--      41.529                283.102                300.840
 ROA3   Fr= 1--     452.018                587.246               -441.984
 CID3   Fr= 1--      10.884                  2.074                 -1.469
 RC180  Fr= 1--      -0.266                 -0.533                 -0.433
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.02     0.00  -0.00   0.00     0.00  -0.01   0.05
     2   6     0.01   0.00  -0.07     0.00   0.00  -0.04     0.00   0.00   0.00
     3   6    -0.00   0.00   0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.06
     4   6    -0.00  -0.00  -0.02     0.00  -0.00   0.02    -0.00   0.00   0.03
     5   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.01     0.00  -0.00  -0.01
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1     0.00   0.03  -0.31    -0.00   0.00  -0.02     0.01   0.05  -0.61
     9   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.06  -0.03   0.81    -0.03  -0.01   0.43     0.00   0.00  -0.01
    11   1    -0.00   0.00  -0.12    -0.00   0.00  -0.13     0.00  -0.01   0.71
    12   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00   0.03    -0.01   0.00  -0.06    -0.00  -0.00  -0.00
    14   1    -0.01  -0.00   0.25     0.01   0.00  -0.27     0.01   0.00  -0.32
    15   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00  -0.14    -0.00  -0.00  -0.07    -0.00   0.00   0.10
    17   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1    -0.00   0.06   0.02     0.01  -0.14  -0.05     0.00   0.01   0.00
    22   1    -0.01  -0.04  -0.37     0.02   0.09   0.83     0.00  -0.00   0.01
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2993.2022              3005.6795              3012.6199
 Red. masses --      1.0821                 1.0847                 1.0857
 Frc consts  --      5.7118                 5.7738                 5.8056
 IR Inten    --      5.4374                84.4866               230.6759
 RamAct Fr= 1--     27.9390                34.9328                77.9753
  Dep-P Fr= 1--      0.3511                 0.1778                 0.1845
  Dep-U Fr= 1--      0.5198                 0.3019                 0.3115
 Alpha2 Fr= 1--      0.2444                 0.5028                 1.1030
 Beta2  Fr= 1--      2.4203                 1.7578                 4.0486
 AlphaG Fr= 1--      0.0860                -0.4794                -1.0074
 Gamma2 Fr= 1--     -1.6967                 2.2631                -4.7091
 Delta2 Fr= 1--     -5.2713                 2.7339                 1.1650
 Raman1 Fr= 1--     111.756                139.731                311.901
 ROA1   Fr= 1--    -331.561                304.740               -414.798
 CID1   Fr= 1--      -2.967                  2.181                 -1.330
 Raman2 Fr= 1--      29.043                 21.094                 48.584
 ROA2   Fr= 1--       1.451                 32.443               -122.339
 CID2   Fr= 1--       0.050                  1.538                 -2.518
 Raman3 Fr= 1--      58.086                 42.188                 97.167
 ROA3   Fr= 1--    -331.561                304.740               -414.798
 CID3   Fr= 1--      -5.708                  7.223                 -4.269
 RC180  Fr= 1--       0.040                 -0.396                 -0.377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.05     0.00   0.00  -0.03     0.00   0.00  -0.03
     2   6    -0.00  -0.00   0.02     0.00   0.00  -0.00     0.00   0.00  -0.02
     3   6     0.00   0.00   0.02    -0.00   0.00  -0.05    -0.00   0.00  -0.02
     4   6     0.00  -0.00  -0.06     0.00  -0.00  -0.04     0.00   0.00  -0.02
     5   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.02    -0.00   0.00   0.04     0.00  -0.00  -0.07
     7   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.01   0.05  -0.54    -0.00  -0.03   0.33    -0.01  -0.03   0.34
     9   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.02   0.01  -0.27    -0.01  -0.01   0.06    -0.02  -0.01   0.26
    11   1    -0.00   0.01  -0.20     0.01  -0.01   0.58     0.00  -0.00   0.27
    12   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.02    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    14   1    -0.02  -0.01   0.66    -0.02   0.00   0.52    -0.01  -0.00   0.21
    15   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1     0.00   0.00   0.19     0.01  -0.01  -0.48    -0.01   0.02   0.83
    17   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    21   1     0.00  -0.09  -0.03     0.00  -0.07  -0.02     0.00  -0.02  -0.01
    22   1     0.01   0.03   0.31     0.01   0.02   0.18     0.00   0.00   0.05
    23   1    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.01  -0.01  -0.01
    24   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3089.3482              3727.0772              3762.5718
 Red. masses --      1.0925                 1.0661                 1.0652
 Frc consts  --      6.1436                 8.7256                 8.8846
 IR Inten    --     45.9563               207.8172                72.8155
 RamAct Fr= 1--    141.7727                84.9318                98.6972
  Dep-P Fr= 1--      0.3010                 0.1027                 0.1385
  Dep-U Fr= 1--      0.4627                 0.1863                 0.2433
 Alpha2 Fr= 1--      1.4499                 1.4771                 1.5706
 Beta2  Fr= 1--     10.9325                 2.6374                 4.0029
 AlphaG Fr= 1--     -0.8011                -0.0548                -0.1115
 Gamma2 Fr= 1--     -6.9974                -1.2064                -2.4515
 Delta2 Fr= 1--     -2.6214                -0.5549                -1.1646
 Raman1 Fr= 1--     567.091                339.727                394.789
 ROA1   Fr= 1--    -755.632               -133.574               -272.614
 CID1   Fr= 1--      -1.332                 -0.393                 -0.691
 Raman2 Fr= 1--     131.190                 31.649                 48.034
 ROA2   Fr= 1--    -146.966                -24.514                -49.520
 CID2   Fr= 1--      -1.120                 -0.775                 -1.031
 Raman3 Fr= 1--     262.380                 63.298                 96.069
 ROA3   Fr= 1--    -755.632               -133.574               -272.614
 CID3   Fr= 1--      -2.880                 -2.110                 -2.838
 RC180  Fr= 1--      -0.075                 -0.627                 -0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   8     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    13   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.05    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.06
    16   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    18   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.03  -0.03   0.01
    19   1     0.00  -0.00   0.00    -0.03   0.07   0.02     0.00  -0.01  -0.00
    20   8    -0.00   0.00   0.00     0.01  -0.06  -0.00    -0.00  -0.00  -0.00
    21   1    -0.08   0.95   0.23     0.00   0.02   0.00    -0.00   0.00   0.00
    22   1     0.01   0.01   0.17     0.00   0.00  -0.01    -0.00   0.00  -0.00
    23   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.17   0.97
    24   1     0.01  -0.02  -0.01    -0.13   0.98   0.06    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3776.6682              3780.3867              3791.9232
 Red. masses --      1.0661                 1.0659                 1.0662
 Frc consts  --      8.9587                 8.9755                 9.0322
 IR Inten    --     79.7725                81.2719                93.6529
 RamAct Fr= 1--     92.3741               107.4614               121.7193
  Dep-P Fr= 1--      0.1539                 0.1844                 0.1581
  Dep-U Fr= 1--      0.2667                 0.3114                 0.2731
 Alpha2 Fr= 1--      1.4141                 1.5204                 1.8432
 Beta2  Fr= 1--      4.1058                 5.5775                 5.5396
 AlphaG Fr= 1--     -0.5245                -0.4029                 0.5331
 Gamma2 Fr= 1--     -2.9544                 0.8449                 2.5941
 Delta2 Fr= 1--      0.9688                 2.7980                -0.2110
 Raman1 Fr= 1--     369.496                429.845                486.877
 ROA1   Fr= 1--    -252.625                170.651                242.283
 CID1   Fr= 1--      -0.684                  0.397                  0.498
 Raman2 Fr= 1--      49.269                 66.930                 66.475
 ROA2   Fr= 1--     -78.657                 -2.106                 63.946
 CID2   Fr= 1--      -1.596                 -0.031                  0.962
 Raman3 Fr= 1--      98.538                133.860                132.950
 ROA3   Fr= 1--    -252.625                170.651                242.283
 CID3   Fr= 1--      -2.564                  1.275                  1.822
 RC180  Fr= 1--      -0.467                 -0.377                 -0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.06   0.02  -0.02
     8   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8    -0.00  -0.00   0.00    -0.04  -0.05   0.01    -0.00  -0.00   0.00
    10   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8     0.02  -0.06  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1     0.01  -0.00   0.00    -0.03   0.01  -0.01     0.92  -0.28   0.27
    18   1     0.01   0.01  -0.00     0.66   0.73  -0.15     0.02   0.03  -0.01
    19   1    -0.29   0.93   0.22     0.00  -0.01  -0.00     0.00  -0.01  -0.00
    20   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    22   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.00  -0.00   0.01     0.01  -0.01   0.05    -0.00   0.00  -0.01
    24   1     0.01  -0.08  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1376.673592454.181423661.00837
           X            0.99998  -0.00613   0.00178
           Y            0.00614   0.99997  -0.00485
           Z           -0.00175   0.00486   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06292     0.03529     0.02366
 Rotational constants (GHZ):           1.31094     0.73537     0.49296
 Zero-point vibrational energy     513965.7 (Joules/Mol)
                                  122.84075 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     86.76   137.33   156.13   213.51   260.90
          (Kelvin)            291.78   328.88   381.34   396.41   430.13
                              450.14   470.79   492.25   497.90   561.55
                              601.51   619.46   644.11   685.29   788.16
                              858.93   890.39   956.79  1290.07  1429.03
                             1449.45  1467.44  1505.45  1552.67  1559.20
                             1572.17  1582.37  1596.03  1597.71  1632.18
                             1668.82  1712.43  1770.29  1790.69  1829.79
                             1841.34  1886.55  1923.00  1934.37  1950.50
                             1967.98  2002.77  2023.42  2048.59  2058.47
                             2067.09  2075.21  2082.83  2175.49  4286.09
                             4288.34  4298.45  4306.55  4324.50  4334.49
                             4444.88  5362.43  5413.50  5433.78  5439.13
                             5455.73
 
 Zero-point correction=                           0.195759 (Hartree/Particle)
 Thermal correction to Energy=                    0.208630
 Thermal correction to Enthalpy=                  0.209574
 Thermal correction to Gibbs Free Energy=         0.157445
 Sum of electronic and zero-point Energies=           -687.327402
 Sum of electronic and thermal Energies=              -687.314531
 Sum of electronic and thermal Enthalpies=            -687.313587
 Sum of electronic and thermal Free Energies=         -687.365716
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  130.917             48.296            109.715
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.893
 Vibrational            129.140             42.335             37.351
 Vibration     1          0.597              1.973              4.447
 Vibration     2          0.603              1.952              3.545
 Vibration     3          0.606              1.942              3.295
 Vibration     4          0.618              1.904              2.693
 Vibration     5          0.630              1.865              2.315
 Vibration     6          0.639              1.836              2.108
 Vibration     7          0.651              1.797              1.890
 Vibration     8          0.671              1.737              1.628
 Vibration     9          0.677              1.719              1.561
 Vibration    10          0.692              1.676              1.423
 Vibration    11          0.701              1.649              1.347
 Vibration    12          0.711              1.621              1.274
 Vibration    13          0.721              1.591              1.202
 Vibration    14          0.724              1.583              1.184
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.781              1.431              0.899
 Vibration    17          0.792              1.404              0.857
 Vibration    18          0.807              1.366              0.803
 Vibration    19          0.833              1.303              0.720
 Vibration    20          0.903              1.144              0.549
 Vibration    21          0.955              1.038              0.455
 Vibration    22          0.979              0.992              0.418
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.380485D-72        -72.419663       -166.752435
 Total V=0       0.419987D+18         17.623235         40.578999
 Vib (Bot)       0.318222D-86        -86.497269       -199.167323
 Vib (Bot)    1  0.342434D+01          0.534577          1.230908
 Vib (Bot)    2  0.215193D+01          0.332827          0.766363
 Vib (Bot)    3  0.188794D+01          0.275989          0.635488
 Vib (Bot)    4  0.136705D+01          0.135785          0.312657
 Vib (Bot)    5  0.110713D+01          0.044199          0.101773
 Vib (Bot)    6  0.982151D+00         -0.007822         -0.018010
 Vib (Bot)    7  0.862193D+00         -0.064396         -0.148277
 Vib (Bot)    8  0.731004D+00         -0.136081         -0.313337
 Vib (Bot)    9  0.699453D+00         -0.155241         -0.357456
 Vib (Bot)   10  0.636516D+00         -0.196190         -0.451745
 Vib (Bot)   11  0.603383D+00         -0.219407         -0.505204
 Vib (Bot)   12  0.571989D+00         -0.242612         -0.558636
 Vib (Bot)   13  0.541996D+00         -0.266004         -0.612497
 Vib (Bot)   14  0.534505D+00         -0.272048         -0.626414
 Vib (Bot)   15  0.459887D+00         -0.337349         -0.776774
 Vib (Bot)   16  0.420616D+00         -0.376114         -0.866035
 Vib (Bot)   17  0.404521D+00         -0.393059         -0.905052
 Vib (Bot)   18  0.383779D+00         -0.415918         -0.957687
 Vib (Bot)   19  0.352246D+00         -0.453154         -1.043426
 Vib (Bot)   20  0.287080D+00         -0.541997         -1.247993
 Vib (Bot)   21  0.250897D+00         -0.600505         -1.382713
 Vib (Bot)   22  0.236596D+00         -0.625992         -1.441400
 Vib (V=0)       0.351260D+04          3.545629          8.164112
 Vib (V=0)    1  0.396065D+01          0.597766          1.376408
 Vib (V=0)    2  0.270925D+01          0.432849          0.996672
 Vib (V=0)    3  0.245303D+01          0.389703          0.897325
 Vib (V=0)    4  0.195562D+01          0.291285          0.670708
 Vib (V=0)    5  0.171480D+01          0.234214          0.539297
 Vib (V=0)    6  0.160210D+01          0.204689          0.471314
 Vib (V=0)    7  0.149668D+01          0.175130          0.403251
 Vib (V=0)    8  0.138564D+01          0.141652          0.326165
 Vib (V=0)    9  0.135979D+01          0.133471          0.307329
 Vib (V=0)   10  0.130942D+01          0.117077          0.269581
 Vib (V=0)   11  0.128363D+01          0.108439          0.249689
 Vib (V=0)   12  0.125972D+01          0.100273          0.230888
 Vib (V=0)   13  0.123740D+01          0.092510          0.213013
 Vib (V=0)   14  0.123191D+01          0.090580          0.208568
 Vib (V=0)   15  0.117934D+01          0.071637          0.164951
 Vib (V=0)   16  0.115339D+01          0.061976          0.142705
 Vib (V=0)   17  0.114315D+01          0.058102          0.133784
 Vib (V=0)   18  0.113031D+01          0.053196          0.122489
 Vib (V=0)   19  0.111162D+01          0.045956          0.105817
 Vib (V=0)   20  0.107655D+01          0.032036          0.073766
 Vib (V=0)   21  0.105942D+01          0.025068          0.057720
 Vib (V=0)   22  0.105315D+01          0.022491          0.051788
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.125897D+07          6.100015         14.045803
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   3333 3                  3332222                                    11111111111111111111111111111                                  
   7777 7                  0009999                                    544444433333322221111110000009  8     665544443333322222111    
   9876 2                  8109887                                    144332096543187439631009874209  9     61947431944219762084096  
   2073 7                  9363819                                    282714628647102500040903496073  7     59786818062739659318950  
 
   XXXX X                  XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X     XXXXXXXXXXXXXXXXXXXXXXX  
   XXXX X                  XXX  X                                      XX X      X XX   X XXXXXXXXXX           X XX  XXXXXXX  X      
   XXXX X                   XX                                         X           X      XXXXXX  XX             XX  XXX  XX  X      
   X    X                   X                                                              XXXX    X              X  XXX      X      
        X                   X                                                               XXX    X                 XXX      X      
        X                   X                                                               XXX    X                  X              
        X                   X                                                               X X    X                  X              
        X                   X                                                                 X    X                                 
                            X                                                                 X    X                                 
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000513336   -0.000854455   -0.001312387
      2        6           0.000774555    0.000394692    0.002254865
      3        6          -0.000973830   -0.000716283    0.001415788
      4        6          -0.000133250    0.000908298   -0.000912937
      5        8           0.002541054   -0.001140915    0.000031435
      6        6          -0.002758793    0.001627984   -0.001917190
      7        8          -0.000102975    0.000105114    0.000777530
      8        1          -0.000005721    0.000363683    0.000251947
      9        8          -0.000056595   -0.000313616   -0.001166094
     10        1          -0.000357119   -0.000195083   -0.000802790
     11        1           0.000276016    0.000091471   -0.000383567
     12        8           0.001053187   -0.000565710   -0.001096028
     13        6          -0.004004168   -0.002424029    0.002791318
     14        1          -0.000442120   -0.000161434    0.000102150
     15        8           0.002210858   -0.001605830   -0.000772388
     16        1           0.000529430    0.000174408    0.000295134
     17        1          -0.000350980    0.000736902   -0.000426758
     18        1          -0.000884295   -0.000125504    0.000933717
     19        1           0.000709677    0.000708808    0.000303273
     20        8           0.003258797    0.001135873   -0.001651413
     21        1           0.000101499   -0.000080339   -0.000138445
     22        1           0.000513237    0.000276396   -0.000800325
     23        1          -0.001794509    0.000456056    0.001599157
     24        1          -0.000617290    0.001203511    0.000624008
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004004168 RMS     0.001220301
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124416D+03  0.135443D+01 -0.407391D+00
      2   0.135443D+01  0.113481D+03 -0.178096D+01
      3  -0.407391D+00 -0.178096D+01  0.970543D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.137880D+01 -0.490738D+01  0.606978D+01
      2  -0.459957D+01 -0.489534D+00  0.545138D+01
      3  -0.711289D+01 -0.114005D+02  0.142167D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.317733D+02 -0.982978D+01 -0.194452D+02
      2  -0.258830D+02  0.103644D+02  0.147199D+02
      3  -0.589035D+01 -0.534596D+00  0.472530D+01
      4  -0.202217D+02 -0.748007D+01 -0.223744D+01
      5  -0.119862D+02 -0.369805D+01  0.100096D+02
      6  -0.892890D+00  0.132447D+02 -0.112412D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.324732D+01  0.248089D+01 -0.886620D+00  0.165028D+01  0.260382D+01
      2   0.248089D+01  0.258151D+01  0.251021D+00  0.260382D+01 -0.469074D+01
      3  -0.886620D+00  0.251021D+00 -0.738121D+00  0.366929D+00 -0.136475D+01
                 6             7             8             9            10 
      1   0.366929D+00 -0.133047D+01  0.588365D+00 -0.493191D+00  0.417784D+01
      2  -0.136475D+01  0.588365D+00 -0.267750D+01 -0.975496D+00 -0.225790D+01
      3   0.832794D+00 -0.493191D+00 -0.975496D+00  0.112171D+02  0.133238D+01
                11            12            13            14            15 
      1  -0.225790D+01  0.133238D+01 -0.299366D+01 -0.252737D+01 -0.625635D+00
      2  -0.176343D+01 -0.327726D+00 -0.252737D+01  0.231432D+01  0.926844D+00
      3  -0.327726D+00 -0.127528D+01 -0.625635D+00  0.926844D+00  0.147861D+01
                16            17            18            19            20 
      1   0.253557D+01 -0.924991D+00  0.564630D+00  0.157877D+01 -0.281095D+01
      2  -0.924991D+00  0.147760D+01  0.529334D+00 -0.281095D+01 -0.242090D+01
      3   0.564630D+00  0.529334D+00 -0.113908D+02  0.100853D+01  0.203077D+00
                21            22            23            24            25 
      1   0.100853D+01 -0.420457D+01 -0.359631D+01  0.105722D+00  0.219174D+01
      2   0.203077D+00 -0.359631D+01  0.285618D+01  0.105445D+01  0.348750D+00
      3   0.111138D+01  0.105722D+00  0.105445D+01  0.163235D+01  0.107815D+00
                26            27            28            29            30 
      1   0.348750D+00  0.107815D+00  0.419099D+00  0.402831D+01 -0.117511D+01
      2   0.228223D+01  0.604190D+00  0.402831D+01  0.218606D+01 -0.804994D-01
      3   0.604190D+00 -0.107967D+02 -0.117511D+01 -0.804994D-01 -0.117271D+01
                31            32            33            34            35 
      1   0.439722D+01  0.335952D+01  0.118613D+00 -0.168104D+01  0.235107D+00
      2   0.335952D+01 -0.401731D+01 -0.105942D+01  0.235107D+00 -0.219316D+01
      3   0.118613D+00 -0.105942D+01 -0.953431D+00 -0.815675D+00  0.916818D-01
                36            37            38            39            40 
      1  -0.815675D+00  0.220944D+01 -0.371660D+01  0.565555D+00 -0.501566D+01
      2   0.916818D-01 -0.371660D+01 -0.507550D+00 -0.658821D+00 -0.116494D+01
      3   0.111324D+02  0.565555D+00 -0.658821D+00  0.905705D-01 -0.157954D+00
                41            42            43            44            45 
      1  -0.116494D+01 -0.157954D+00  0.352022D+01  0.236775D+00  0.219809D+00
      2  -0.411242D+01  0.117456D+01  0.236775D+00  0.172317D+01 -0.108317D+01
      3   0.117456D+01  0.905342D+00  0.219809D+00 -0.108317D+01 -0.139787D+01
                46            47            48            49            50 
      1  -0.443522D+01  0.925332D+00 -0.197657D+00  0.369032D+01  0.250830D+01
      2   0.925332D+00  0.215144D+01  0.119773D+01  0.250830D+01 -0.188009D+01
      3  -0.197657D+00  0.119773D+01 -0.518304D+00  0.127167D+00 -0.700197D+00
                51            52            53            54            55 
      1   0.127167D+00 -0.208743D+01  0.339135D+00  0.427003D+00  0.516143D+01
      2  -0.700197D+00  0.339135D+00 -0.217724D+01  0.302655D+00 -0.942779D+00
      3  -0.266431D+01  0.427003D+00  0.302655D+00  0.110629D+02  0.169288D+01
                56            57            58            59            60 
      1  -0.942779D+00  0.169288D+01 -0.444430D+00 -0.924930D-01 -0.308101D+00
      2   0.204191D+01 -0.229627D+00 -0.924930D-01  0.942031D+01  0.154038D+01
      3  -0.229627D+00  0.117931D+01 -0.308101D+00  0.154038D+01 -0.752337D+00
                61            62            63            64            65 
      1   0.248831D+01 -0.114372D+01  0.174556D-01  0.566962D+00 -0.435191D+00
      2  -0.114372D+01  0.382149D+01  0.200117D+01 -0.435191D+00 -0.427828D+00
      3   0.174556D-01  0.200117D+01  0.205069D+00 -0.109875D+01 -0.289252D-01
                66            67            68            69            70 
      1  -0.109875D+01 -0.191942D+00 -0.409092D+00  0.177499D-02 -0.207185D+01
      2  -0.289252D-01 -0.409092D+00  0.953374D+00 -0.124041D+01  0.115664D+00
      3   0.288960D+00  0.177499D-02 -0.124041D+01  0.509359D+00 -0.624271D-02
                71            72            73            74            75 
      1   0.115664D+00 -0.624271D-02 -0.494785D+01  0.401566D+01 -0.128243D+01
      2  -0.222521D+01  0.103659D+01  0.401566D+01  0.116822D+01 -0.166577D+00
      3   0.103659D+01 -0.962854D+01 -0.128243D+01 -0.166577D+00  0.143727D+01
                76            77            78            79            80 
      1   0.748106D+01 -0.416060D+00  0.283704D+00 -0.365730D+01  0.247177D+00
      2  -0.416060D+00  0.410344D+01 -0.117851D+01  0.247177D+00 -0.141334D+01
      3   0.283704D+00 -0.117851D+01  0.583308D+00 -0.180681D+01  0.578332D+00
                81            82            83            84            85 
      1  -0.180681D+01 -0.835749D+00  0.436306D+00  0.123752D+01  0.402413D+00
      2   0.578332D+00  0.436306D+00  0.314709D+00  0.521243D-01  0.362842D+00
      3  -0.180068D+00  0.123752D+01  0.521243D-01 -0.364930D+00  0.643060D-01
                86            87            88            89            90 
      1   0.362842D+00  0.643060D-01  0.231520D+01  0.141298D+00 -0.900409D+00
      2  -0.543069D+00  0.118073D+01  0.141298D+00  0.187752D+01 -0.291607D+00
      3   0.118073D+01 -0.581522D+00 -0.900409D+00 -0.291607D+00  0.975864D+01
                91            92            93            94            95 
      1  -0.335992D+00  0.289830D+00  0.118510D+01  0.430307D+00  0.554716D+00
      2   0.289830D+00  0.565684D+00  0.496617D-01  0.554716D+00 -0.487349D+00
      3   0.118510D+01  0.496617D-01 -0.486230D-01  0.754534D-01  0.104441D+01
                96            97            98            99           100 
      1   0.754534D-01  0.218432D+01 -0.132776D-01  0.328331D+00  0.717281D+01
      2   0.104441D+01 -0.132776D-01  0.203225D+01  0.167542D+00  0.252683D+01
      3  -0.352526D+00  0.328331D+00  0.167542D+00  0.952036D+01 -0.922243D+00
               101           102           103           104           105 
      1   0.252683D+01 -0.922243D+00  0.885066D+00  0.390950D+01  0.280837D+00
      2   0.426437D+01  0.295652D+00  0.390950D+01 -0.337930D+01 -0.126341D+01
      3   0.295652D+00 -0.455003D+00  0.280837D+00 -0.126341D+01 -0.141308D+01
               106           107           108           109           110 
      1  -0.219574D+01 -0.507229D+00  0.139920D+01  0.887329D+00 -0.345730D+01
      2  -0.507229D+00 -0.266338D+01  0.735780D+00 -0.345730D+01  0.665307D+00
      3   0.139920D+01  0.735780D+00 -0.226238D-01  0.204039D+01 -0.515474D+00
               111           112           113           114           115 
      1   0.204039D+01 -0.360714D+01 -0.224561D+01  0.998740D-01  0.366278D+01
      2  -0.515474D+00 -0.224561D+01  0.870820D+01  0.156304D+01  0.336945D-01
      3   0.142041D+01  0.998740D-01  0.156304D+01 -0.527247D+00 -0.372485D+00
               116           117           118           119           120 
      1   0.336945D-01 -0.372485D+00  0.101381D+01 -0.677148D+00 -0.128922D+01
      2   0.179757D+01  0.111623D+01 -0.677148D+00 -0.125406D+00 -0.606246D-01
      3   0.111623D+01 -0.101112D+02 -0.128922D+01 -0.606246D-01  0.891574D+00
               121           122           123           124           125 
      1  -0.765798D+00 -0.149380D+00 -0.117573D+00 -0.287100D+01 -0.185805D+00
      2  -0.149380D+00  0.327207D+00 -0.111325D+01 -0.185805D+00 -0.163010D+01
      3  -0.117573D+00 -0.111325D+01 -0.852631D-01  0.124060D+01 -0.521837D+00
               126           127           128           129           130 
      1   0.124060D+01 -0.497858D+01 -0.296985D+01  0.206358D+00 -0.312599D+01
      2  -0.521837D+00 -0.296985D+01 -0.307884D+01 -0.713832D-01 -0.325924D+01
      3  -0.964782D+01  0.206358D+00 -0.713832D-01  0.147705D+00 -0.453103D+00
               131           132           133           134           135 
      1  -0.325924D+01 -0.453103D+00 -0.697706D+00 -0.865339D+00 -0.168677D+00
      2  -0.619390D+01 -0.542040D+00 -0.865339D+00 -0.202386D+01  0.994990D+00
      3  -0.542040D+00  0.181339D+01 -0.168677D+00  0.994990D+00 -0.666531D+01
               136           137           138           139           140 
      1  -0.128709D-01 -0.416440D+00 -0.140277D+01 -0.546670D+00 -0.663552D+00
      2  -0.416440D+00 -0.529831D+00 -0.143332D+00 -0.663552D+00 -0.311221D+00
      3  -0.140277D+01 -0.143332D+00 -0.310717D+00  0.834428D-01 -0.108975D+01
               141           142           143           144           145 
      1   0.834428D-01 -0.264955D+01 -0.378580D+00 -0.121454D+01 -0.662018D+01
      2  -0.108975D+01 -0.378580D+00 -0.170634D+01 -0.138940D+01  0.342901D+01
      3  -0.220623D+00 -0.121454D+01 -0.138940D+01 -0.985375D+01 -0.694686D+00
               146           147           148           149           150 
      1   0.342901D+01 -0.694686D+00  0.262990D+01 -0.197493D+01  0.138904D+00
      2  -0.428109D+01  0.101600D+00 -0.197493D+01  0.266053D+01 -0.232475D+00
      3   0.101600D+00 -0.143404D+01  0.138904D+00 -0.232475D+00  0.975371D+00
               151           152           153           154           155 
      1  -0.152335D+01  0.711788D+00 -0.702183D+00 -0.728193D+01 -0.236520D+01
      2   0.711788D+00 -0.106506D+01  0.585452D+00 -0.236520D+01 -0.256597D+01
      3  -0.702183D+00  0.585452D+00 -0.135980D+00 -0.152617D-01  0.802879D-01
               156           157           158           159           160 
      1  -0.152617D-01 -0.530831D+01 -0.203750D+01 -0.118944D+00  0.902605D+00
      2   0.802879D-01 -0.203750D+01 -0.296171D+01  0.300180D+00  0.256923D+00
      3  -0.142152D+01 -0.118944D+00  0.300180D+00 -0.813631D+00 -0.717756D+00
               161           162           163           164           165 
      1   0.256923D+00 -0.717756D+00 -0.669387D+00  0.633024D+00  0.232637D+00
      2   0.475834D+00 -0.214911D+00  0.633024D+00 -0.127222D+01 -0.119174D+00
      3  -0.214911D+00 -0.867613D-01  0.232637D+00 -0.119174D+00  0.139371D+00
               166           167           168           169           170 
      1   0.276880D+01  0.483222D+00 -0.170777D+00  0.630798D+00 -0.770891D-01
      2   0.483222D+00  0.955022D+01  0.637708D+00 -0.770891D-01  0.155140D+01
      3  -0.170777D+00  0.637708D+00  0.158517D+01  0.109330D+00  0.812003D+00
               171           172           173           174           175 
      1   0.109330D+00  0.983070D+01  0.104083D+01 -0.162039D+01 -0.439314D-01
      2   0.812003D+00  0.104083D+01  0.998375D+00  0.270021D+00  0.321265D+01
      3   0.142491D+00 -0.162039D+01  0.270021D+00 -0.109193D+00  0.223685D+00
               176           177           178           179           180 
      1   0.321265D+01  0.223685D+00 -0.333164D+01 -0.248151D+00  0.212215D+01
      2  -0.583407D+01 -0.637435D+00 -0.248151D+00 -0.735600D+00  0.834564D-01
      3  -0.637435D+00 -0.120683D+01  0.212215D+01  0.834564D-01 -0.645671D+00
               181           182           183           184           185 
      1   0.660420D+00 -0.118817D+01 -0.639054D+00 -0.256464D+01  0.249623D+01
      2  -0.118817D+01  0.607307D+00  0.114286D+00  0.249623D+01 -0.110279D+02
      3  -0.639054D+00  0.114286D+00  0.243184D+00  0.117661D+00 -0.896103D+00
               186           187           188           189           190 
      1   0.117661D+00 -0.135013D+01  0.428368D+00  0.485319D+00  0.449117D-01
      2  -0.896103D+00  0.428368D+00 -0.194625D+01 -0.135702D+01  0.345593D+00
      3  -0.114941D+01  0.485319D+00 -0.135702D+01  0.213481D+00  0.125892D+01
               191           192           193           194           195 
      1   0.345593D+00  0.125892D+01  0.983155D+00  0.238546D+00 -0.156373D-01
      2   0.111919D-01  0.599317D-01  0.238546D+00 -0.906797D+00  0.102613D+01
      3   0.599317D-01 -0.185109D+00 -0.156373D-01  0.102613D+01  0.569096D+00
               196           197           198           199           200 
      1   0.237486D+01 -0.197999D+00  0.102432D+01 -0.428116D+00 -0.224881D+00
      2  -0.197999D+00  0.163676D+01 -0.128023D+01 -0.224881D+00 -0.887625D-01
      3   0.102432D+01 -0.128023D+01  0.105356D+02  0.376661D+00 -0.144543D+00
               201           202           203           204           205 
      1   0.376661D+00 -0.564377D+00 -0.320552D+00  0.247022D+00  0.235069D+01
      2  -0.144543D+00 -0.320552D+00 -0.146525D+01  0.931273D+00  0.107063D+01
      3   0.401035D+00  0.247022D+00  0.931273D+00 -0.153423D+01 -0.116316D+01
               206           207           208           209           210 
      1   0.107063D+01 -0.116316D+01  0.696823D-01  0.131080D+01  0.872636D-01
      2   0.340856D+01 -0.277969D+01  0.131080D+01 -0.494261D+00 -0.128687D+00
      3  -0.277969D+01  0.702254D+01  0.872636D-01 -0.128687D+00  0.682782D+00
               211           212           213           214           215 
      1   0.405859D+01 -0.872334D+00 -0.367369D+00  0.290099D+00 -0.211502D+00
      2  -0.872334D+00  0.691739D+01 -0.619563D-01 -0.211502D+00  0.372650D+00
      3  -0.367369D+00 -0.619563D-01  0.136964D+01  0.315172D+00  0.253950D+00
               216 
      1   0.315172D+00
      2   0.253950D+00
      3  -0.247429D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.107763D+01  0.160601D+00 -0.565047D+00 -0.155555D+01  0.210511D+01
      2   0.970818D+00 -0.106414D+00  0.161335D+01  0.832196D+00  0.176473D+01
      3  -0.132318D+01  0.404454D+00 -0.820213D+00  0.568773D+01 -0.132646D+01
                 6             7             8             9            10 
      1   0.125365D+01  0.639856D+00  0.402330D+01 -0.100043D+02 -0.700727D+00
      2   0.255941D+00 -0.256245D+01  0.245747D-01 -0.646446D+01 -0.244537D+01
      3  -0.188144D+00 -0.817492D+00 -0.189692D+01 -0.115838D+01 -0.301291D+01
                11            12            13            14            15 
      1  -0.234787D+01 -0.887227D+00 -0.151877D+00 -0.162917D+01 -0.241258D+01
      2  -0.330037D+00 -0.144213D-01  0.455741D+00 -0.142362D+01 -0.201976D+01
      3  -0.502912D+01 -0.202350D+00  0.109393D+01  0.268875D+01  0.240386D+01
                16            17            18            19            20 
      1  -0.113094D+01  0.229450D+01 -0.993678D+00 -0.178112D+01  0.889630D-01
      2  -0.377844D+01 -0.109934D+01  0.149494D+02 -0.291172D+00  0.122342D+01
      3  -0.959928D+00  0.214945D+01  0.932803D+00  0.219149D+01 -0.397387D+01
                21            22            23            24            25 
      1   0.101571D+01 -0.118268D+01 -0.136481D+01 -0.866995D+00  0.647523D+00
      2  -0.136778D+00  0.382072D+00  0.101561D+01 -0.426561D+00 -0.414225D+01
      3   0.185695D+00  0.229217D+01 -0.398911D+01 -0.156973D+01  0.209502D+01
                26            27            28            29            30 
      1   0.206278D+01  0.626688D+01 -0.169211D+01  0.673487D+00  0.138728D+01
      2   0.294536D+00 -0.572998D+01 -0.197932D+01  0.103845D+01 -0.265708D+01
      3  -0.106350D+01 -0.477085D+00 -0.715706D+01 -0.898044D+01  0.304542D+00
                31            32            33            34            35 
      1  -0.634317D+00  0.110223D+00 -0.191737D+00 -0.853980D-01  0.327539D+01
      2  -0.711314D+00 -0.975697D+00 -0.336109D+01 -0.538452D+01  0.756658D+00
      3  -0.519611D+01  0.635076D+01  0.195390D+01  0.817104D+00  0.950884D+00
                36            37            38            39            40 
      1   0.473806D+01  0.209353D+01 -0.251584D+00 -0.131932D+01  0.436418D+00
      2   0.164816D+02  0.843210D+00  0.184059D+00  0.123935D+02 -0.180694D+00
      3   0.564587D+00 -0.343239D+01 -0.214681D+01 -0.153321D+01  0.197425D+02
                41            42            43            44            45 
      1   0.856789D+00 -0.534699D+01  0.194185D+01  0.272124D+01  0.457040D+00
      2  -0.139632D+00  0.719678D+00 -0.768423D+01 -0.154591D+01  0.130924D+01
      3   0.228430D+01  0.628136D-01 -0.512086D+01 -0.596119D+00 -0.280517D+00
                46            47            48            49            50 
      1  -0.294146D+00  0.191219D+00 -0.511524D+00 -0.113544D+01  0.112938D+00
      2   0.134521D+01  0.234880D+00 -0.527837D+01 -0.182903D+00  0.207948D+01
      3   0.787795D+01  0.524139D+01  0.691670D+00 -0.724382D+00 -0.157865D+01
                51            52            53            54            55 
      1  -0.351173D+00 -0.169554D+01  0.307465D+01  0.100227D+02 -0.472502D+01
      2   0.356506D+01 -0.424906D+01 -0.151382D+01 -0.168265D+02 -0.394963D+01
      3  -0.185823D+01  0.226529D+01 -0.259446D+01 -0.437747D+00  0.170562D+02
                56            57            58            59            60 
      1   0.173460D+01 -0.183303D+01  0.223311D+01 -0.404586D+01 -0.680088D+01
      2   0.296720D+01  0.136075D+01  0.763416D+00 -0.228182D+01 -0.262528D+00
      3  -0.577368D+01  0.304695D+01  0.452653D+01  0.984833D+01  0.184238D+00
                61            62            63            64            65 
      1  -0.109934D+01  0.120586D+01 -0.341322D+01  0.133488D+01 -0.443384D-02
      2  -0.517589D+01 -0.311377D+00 -0.121399D+01  0.101097D+01 -0.485548D+00
      3   0.669500D+01  0.183226D+01  0.190081D+01  0.373184D+00 -0.174413D+01
                66            67            68            69            70 
      1  -0.492370D+00  0.892896D-01  0.156936D+01 -0.741824D+00 -0.278978D+00
      2   0.106301D+01 -0.338789D+00  0.541086D+00 -0.406246D-01 -0.444153D+01
      3  -0.124204D+01  0.663747D+00  0.202850D+00 -0.786917D+00 -0.268012D+01
                71            72            73            74            75 
      1   0.399441D+01  0.107938D+02 -0.106158D+01  0.147774D+00  0.150857D+01
      2  -0.478842D+00  0.622043D+01  0.563324D+01  0.157490D+01  0.484679D+01
      3  -0.121370D+01  0.946575D+00  0.122224D+02 -0.339737D+00 -0.425891D+00
                76            77            78            79            80 
      1  -0.219480D+01 -0.686109D+00 -0.299663D+01  0.157985D+01  0.388263D+01
      2   0.141466D+01  0.322987D+01 -0.400036D+01 -0.114119D+01 -0.185960D+01
      3   0.843531D+01  0.182333D+02 -0.233673D+01 -0.324750D+00 -0.574340D+01
                81            82            83            84            85 
      1   0.642738D+00  0.121081D+00  0.293292D+00 -0.185059D-01  0.581147D+00
      2   0.297568D+01 -0.218667D+01 -0.127750D+00  0.878590D+00  0.818382D-01
      3   0.108418D+01  0.750433D+00 -0.475953D+00  0.112771D+00  0.166448D+01
                86            87            88            89            90 
      1  -0.425991D+00 -0.162348D+01  0.287909D+00  0.447896D+01 -0.996769D+00
      2  -0.202797D+01  0.101782D+01 -0.358873D+01  0.374368D+00 -0.151249D+02
      3  -0.575643D+00  0.156294D+01  0.316935D+00  0.332008D+01  0.672443D-01
                91            92            93            94            95 
      1  -0.928531D+00  0.214454D+00  0.478119D+00  0.188654D+00 -0.129427D+01
      2   0.160040D+01  0.202036D+00  0.359074D+00  0.539524D+00  0.319794D+00
      3  -0.335295D+00 -0.112433D+01  0.862313D+00  0.118126D+01  0.223818D+00
                96            97            98            99           100 
      1  -0.652162D+00 -0.468319D+00  0.464146D+01 -0.720578D+01  0.222215D+01
      2  -0.637752D+00 -0.498060D+01  0.398158D+00  0.580588D+01 -0.179013D+01
      3  -0.477704D+00  0.135898D+01 -0.133781D+01 -0.655691D-01  0.100196D+02
               101           102           103           104           105 
      1  -0.309220D+00 -0.236187D+01  0.910728D+00  0.483919D+01 -0.279996D+01
      2  -0.725826D+00  0.607661D+01  0.541620D+00 -0.210271D+01  0.957533D+00
      3  -0.121054D+02 -0.153162D+01 -0.185755D+01  0.147520D+02  0.280938D+01
               106           107           108           109           110 
      1  -0.202407D+01  0.409062D+01  0.201796D+01  0.164525D+01 -0.131533D+00
      2  -0.175975D+01  0.106992D+01 -0.162789D+01  0.290961D+01 -0.478482D+00
      3  -0.459347D+01  0.475186D+01  0.838955D+00  0.382671D+01  0.382694D+01
               111           112           113           114           115 
      1   0.228124D+01 -0.181288D+01  0.849240D+01 -0.128355D+01 -0.158580D+01
      2   0.637705D+00  0.271474D+00  0.362205D+01 -0.309936D+01 -0.490465D+01
      3  -0.118779D+01  0.125577D+02 -0.165458D+02 -0.362362D+01 -0.338848D+01
               116           117           118           119           120 
      1   0.316068D+01 -0.152128D+02 -0.506642D+00  0.963450D-01  0.718312D+00
      2   0.286235D+01 -0.207505D+02 -0.120030D+01 -0.440439D+00  0.212090D+01
      3  -0.462849D+01 -0.241165D+01  0.538718D+00 -0.171856D+00  0.111099D+01
               121           122           123           124           125 
      1  -0.752251D-01 -0.113376D+01 -0.818567D+00  0.455874D+00  0.403172D+01
      2   0.206338D-01 -0.142267D+01  0.417251D-01 -0.407536D+01 -0.542334D+00
      3   0.223331D+01 -0.113115D+01  0.156955D+01  0.233966D+01  0.277793D+01
               126           127           128           129           130 
      1  -0.466907D+01  0.141799D+00 -0.486480D+00 -0.221376D+01  0.425213D+00
      2  -0.123783D+02 -0.499654D+00 -0.159608D+01  0.668273D+01  0.602986D+00
      3  -0.496580D+00  0.635427D+01 -0.717100D+01  0.709800D+00  0.689269D+01
               131           132           133           134           135 
      1   0.135258D+00 -0.370619D+01  0.173280D+01  0.575422D+01 -0.153976D+02
      2   0.765406D+00 -0.126106D+01 -0.143700D+01 -0.334804D+01  0.135872D+02
      3  -0.657697D+01 -0.624034D+00  0.362141D+00 -0.115772D+01  0.285566D+01
               136           137           138           139           140 
      1  -0.156532D+01  0.554721D-01 -0.417621D+00  0.791640D+00 -0.140032D+01
      2   0.213675D+01 -0.648376D-02  0.108427D+01  0.224871D+00  0.114541D+01
      3  -0.644784D+00 -0.156057D+01  0.200163D+01  0.769342D+00  0.109043D+01
               141           142           143           144           145 
      1  -0.742045D+00 -0.838466D+00  0.345577D+01 -0.103414D+02  0.367059D+01
      2  -0.183813D+00 -0.374421D+01  0.148868D+01  0.137875D+02  0.361593D+01
      3  -0.156691D+01  0.362492D+01 -0.209659D+01  0.878107D+00 -0.173365D+02
               146           147           148           149           150 
      1  -0.161150D+01  0.421419D+01 -0.108624D+01  0.128282D+01 -0.219445D+01
      2  -0.194013D+01  0.307513D+01 -0.139437D+01  0.107447D+01 -0.166696D+01
      3   0.252968D+01 -0.229902D+01  0.509962D+01 -0.271874D+01  0.164388D+00
               151           152           153           154           155 
      1   0.220946D+01 -0.892530D+00  0.667004D+00  0.146652D+01  0.957910D+00
      2   0.913652D+00 -0.114717D+01  0.626286D+00 -0.261687D+01 -0.148719D+01
      3  -0.442782D+01  0.410112D+00 -0.127457D+01 -0.109297D+02 -0.106694D+02
               156           157           158           159           160 
      1  -0.363617D+00  0.124957D+01  0.997680D+00 -0.396662D+00 -0.238196D+00
      2   0.465449D+01 -0.200444D+01 -0.199902D+01  0.330442D+01  0.159037D+01
      3   0.268864D+00 -0.835998D+01 -0.143133D+02  0.114092D+01  0.102794D+01
               161           162           163           164           165 
      1   0.732901D+00  0.267933D+00 -0.488790D+00  0.720945D+00  0.273628D+00
      2   0.993853D+00  0.236643D-01  0.549158D+00 -0.331963D+00 -0.264512D+00
      3   0.249816D+01 -0.885383D+00 -0.503997D+01  0.505978D+01  0.107385D+01
               166           167           168           169           170 
      1   0.578190D+00 -0.337326D+01 -0.425066D+01 -0.126160D+00 -0.139215D+01
      2  -0.500456D+00  0.863450D+00  0.209175D+01 -0.867222D+00  0.123112D+01
      3   0.788921D+01 -0.200446D+02 -0.205305D+01  0.232308D+01 -0.375193D+01
               171           172           173           174           175 
      1  -0.593453D+00 -0.115829D+01 -0.999913D+00 -0.190834D+01  0.105212D+01
      2   0.184961D+00 -0.414277D+01 -0.846819D+00  0.853845D+01  0.558690D+00
      3  -0.120446D+01 -0.975150D+01 -0.144820D+02  0.157460D+01 -0.924839D+01
               176           177           178           179           180 
      1   0.193657D+01 -0.413690D+01  0.231779D+01  0.459580D+01  0.506209D+00
      2  -0.163285D+01 -0.189644D+01  0.179030D+01  0.164131D+00 -0.407426D+01
      3   0.238819D+02  0.111004D+01  0.213942D+01  0.434744D+01 -0.222184D+01
               181           182           183           184           185 
      1  -0.162437D+01  0.554067D+00  0.755073D+00  0.100323D+01 -0.571638D+01
      2  -0.151201D+01  0.617800D+00  0.161601D+01  0.541512D+00 -0.226644D+01
      3   0.217486D+01 -0.949963D+00  0.712028D+00  0.112781D+01  0.231013D+02
               186           187           188           189           190 
      1  -0.505511D+01  0.106252D+01 -0.183799D+01 -0.398688D+00  0.216487D+01
      2  -0.307150D+01  0.541121D+00 -0.320113D+01  0.342243D+00  0.372713D+01
      3   0.209411D+01  0.202764D+01  0.383709D+01  0.251623D+01 -0.128941D+00
               191           192           193           194           195 
      1  -0.185483D-01 -0.109962D+00 -0.730426D-01  0.102481D+01  0.686293D+00
      2  -0.128304D+00  0.884486D-01 -0.894866D+00  0.266069D+01  0.127706D+01
      3  -0.148152D+01 -0.168862D+01 -0.109159D+01  0.156436D+01 -0.219330D+01
               196           197           198           199           200 
      1   0.837824D+00  0.299493D+01  0.143732D+02  0.875885D+00  0.677919D-02
      2  -0.300340D+01 -0.268892D+01  0.243080D+02 -0.191749D+01  0.347583D-01
      3  -0.276488D+01 -0.373833D+01  0.242986D+01 -0.289693D+00  0.151022D+00
               201           202           203           204           205 
      1   0.114047D+01  0.441030D+00  0.229611D+01 -0.348405D+01 -0.289805D+01
      2  -0.101752D+01 -0.690185D+00 -0.219352D+01  0.334861D+01  0.798731D-01
      3  -0.121958D+01  0.770683D+00 -0.204696D+01  0.150445D+01 -0.339950D+01
               206           207           208           209           210 
      1  -0.442449D+01  0.175902D+02 -0.287557D+00  0.265173D+00 -0.770416D+00
      2   0.617526D+01 -0.153832D+02 -0.150445D-01  0.643807D-01  0.805989D+00
      3   0.447688D+01 -0.337822D+01 -0.468041D+01  0.422294D+01  0.385864D+00
               211           212           213           214           215 
      1   0.125741D+00 -0.379973D+01  0.385480D+00 -0.567491D+00  0.818921D+00
      2  -0.333226D+00 -0.616120D+00  0.534820D+01 -0.206335D+00  0.122475D+01
      3   0.606146D+01 -0.326966D+02  0.515578D+00  0.108418D+01 -0.153318D+01
               216 
      1  -0.808230D-02
      2  -0.825867D+00
      3  -0.723006D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.182628D+01 -0.853528D+01 -0.223327D+00 -0.531843D+01  0.139934D+02
      2   0.257752D+01  0.118276D+02 -0.104072D+01  0.699694D+01 -0.267038D+02
      3  -0.440380D+01 -0.329231D+01  0.126405D+01 -0.167850D+01  0.127105D+02
      4  -0.406006D+01 -0.206077D+01 -0.914135D+00 -0.100818D+02  0.110685D+02
      5   0.189744D+01 -0.132149D+01 -0.397278D+00 -0.383400D+01  0.160005D+01
      6   0.776893D+00  0.189594D+01  0.142150D+01  0.277150D+01 -0.729577D+01
                 6             7             8             9            10 
      1   0.274518D+01  0.184487D+01  0.445790D+01  0.118426D+02 -0.235023D+02
      2  -0.445874D+00 -0.525595D+00 -0.116165D+02  0.619841D+01  0.115785D+02
      3  -0.229931D+01 -0.131927D+01  0.715859D+01 -0.180410D+02  0.119238D+02
      4   0.240254D+01 -0.267663D+01  0.381527D+01  0.320654D+00  0.119817D+02
      5   0.111571D+01  0.965913D+00  0.145605D+01 -0.138063D+02 -0.783753D+01
      6  -0.100765D+02 -0.218709D+00 -0.365960D+01  0.262661D+02  0.369914D+00
                11            12            13            14            15 
      1   0.530859D+01 -0.842832D+00  0.114385D+02  0.775711D+01  0.111208D+01
      2  -0.477975D+00  0.427252D+01 -0.698166D+01 -0.204016D+01 -0.183713D+01
      3  -0.483062D+01 -0.342969D+01 -0.445686D+01 -0.571694D+01  0.725045D+00
      4  -0.476804D+01  0.112251D+01  0.638246D+01 -0.630170D+01 -0.245943D+01
      5   0.114938D+01 -0.631311D+01  0.320988D+01 -0.696431D+00 -0.356014D+01
      6  -0.255116D+01  0.259822D+01 -0.145600D+01  0.573811D+00  0.984023D+00
                16            17            18            19            20 
      1  -0.126141D+02  0.248317D+01  0.789827D+01 -0.798979D+01  0.157982D+01
      2   0.440972D+01 -0.239651D+01  0.990872D+01  0.117210D+01 -0.809608D+01
      3   0.820433D+01 -0.866571D-01 -0.178070D+02  0.681769D+01  0.651627D+01
      4   0.615054D+01 -0.442515D+01 -0.238523D+01 -0.768578D+01 -0.111473D+02
      5  -0.246500D+01 -0.212380D+01  0.375181D+02  0.299615D+01  0.145033D+01
      6   0.468253D+00  0.641268D-01  0.103345D+01 -0.369650D+00  0.183443D+01
                21            22            23            24            25 
      1  -0.148631D+01 -0.824038D+01 -0.397178D+01 -0.285670D+01  0.319409D+01
      2  -0.224866D+01  0.123580D+01  0.242571D+01 -0.505761D-01  0.821608D+00
      3   0.373498D+01  0.700458D+01  0.154607D+01  0.290728D+01 -0.401570D+01
      4   0.483017D+00 -0.128359D+02 -0.335206D+01 -0.131377D+00  0.441420D+01
      5  -0.565492D+01  0.221218D+01  0.341376D+00 -0.171808D+01  0.106802D+00
      6  -0.307892D+01  0.371822D-01  0.351442D+01 -0.248084D+01 -0.417125D+00
                26            27            28            29            30 
      1   0.497150D-01  0.927640D+01 -0.119243D+02  0.127181D+02 -0.563029D+01
      2   0.166882D+01  0.121145D+02  0.502273D+01 -0.105186D+02  0.287684D+00
      3  -0.171853D+01 -0.213909D+02  0.690158D+01 -0.219949D+01  0.534260D+01
      4   0.457379D+01  0.754856D+00 -0.242083D+01 -0.909252D+01  0.293768D+01
      5   0.369999D+00 -0.139496D+02 -0.476688D+01  0.156438D+01 -0.108666D+02
      6   0.247614D+01 -0.154623D+02  0.426394D+01 -0.506922D+00 -0.437882D+00
                31            32            33            34            35 
      1   0.811911D+01  0.644352D+01 -0.401973D+01 -0.347188D+01 -0.872412D+00
      2  -0.529102D+01 -0.604044D+01  0.179564D-02 -0.221949D+01  0.236352D+01
      3  -0.282809D+01 -0.403081D+00  0.401794D+01  0.569138D+01 -0.149111D+01
      4  -0.855177D+01 -0.168031D+02 -0.180211D+01  0.180513D+01 -0.250199D+01
      5   0.520718D-01 -0.704266D+00 -0.621918D+01 -0.445265D+01  0.153289D+00
      6  -0.682660D+00  0.181782D+01 -0.374954D+01  0.843643D+00 -0.120888D+01
                36            37            38            39            40 
      1   0.902488D+01  0.461226D+01 -0.273413D+01 -0.105126D+01  0.590715D+00
      2   0.928035D+01 -0.123423D+01  0.285379D+01 -0.170650D+00  0.467149D+00
      3  -0.183052D+02 -0.337804D+01 -0.119658D+00  0.122191D+01 -0.105786D+01
      4   0.735702D+00 -0.147967D+01  0.211139D+02 -0.165671D+01  0.171603D+02
      5   0.316042D+02  0.187618D+01 -0.625446D-01  0.239519D+02 -0.175768D+01
      6  -0.116645D+02 -0.176412D+01  0.218974D+01  0.305469D+01 -0.510048D+00
                41            42            43            44            45 
      1  -0.187293D+02  0.474031D+01  0.141209D+01  0.394765D+01 -0.946376D+01
      2   0.253979D+02 -0.130264D+01 -0.220740D+01 -0.441217D+01 -0.226741D+01
      3  -0.666863D+01 -0.343767D+01  0.795313D+00  0.464515D+00  0.117312D+02
      4   0.334852D+01 -0.454271D+00 -0.765943D+01  0.997863D-01 -0.137836D+01
      5  -0.974944D+00  0.240643D+01  0.669691D+01 -0.204169D+00  0.234294D+01
      6  -0.420350D+01  0.760688D+01 -0.786545D+00  0.912093D+01  0.255893D+00
                46            47            48            49            50 
      1  -0.134285D+02  0.226015D+01  0.579482D+01 -0.994157D+01 -0.159351D+01
      2   0.755544D+01 -0.865861D+01 -0.199368D+01  0.128886D+00 -0.778631D+01
      3   0.587302D+01  0.639845D+01 -0.380114D+01  0.981268D+01  0.937982D+01
      4   0.108615D+01 -0.259079D+02 -0.186160D+01 -0.222366D+02 -0.463506D+01
      5   0.696833D+00 -0.115279D+01 -0.147218D+02  0.197542D+01  0.946773D+00
      6  -0.879229D+00 -0.331315D+01 -0.260616D+01  0.750117D+00  0.153090D+01
                51            52            53            54            55 
      1  -0.144795D+01  0.573950D+01 -0.240921D+01  0.125731D+02 -0.425375D+01
      2  -0.155259D+01  0.112979D+01  0.946421D+01  0.123614D+02 -0.381928D+01
      3   0.300055D+01 -0.686929D+01 -0.705500D+01 -0.249344D+02  0.807303D+01
      4   0.203381D+01  0.325238D+01  0.320731D+01  0.372844D+00  0.243623D+02
      5   0.485976D+01 -0.465250D+01 -0.110203D+01 -0.326155D+02 -0.316953D+01
      6  -0.397488D+01 -0.499116D+00 -0.198252D+01 -0.266448D+02  0.775768D+01
                56            57            58            59            60 
      1   0.107018D+01 -0.280113D+01  0.351151D+01 -0.374586D+02 -0.669177D+01
      2   0.456408D+01  0.115396D+01 -0.188790D+01  0.570750D+02  0.490699D+01
      3  -0.563426D+01  0.164717D+01 -0.162361D+01 -0.196164D+02  0.178478D+01
      4  -0.413319D+01  0.678050D+01  0.444370D+01 -0.166367D+02 -0.432322D+01
      5   0.126883D+01  0.530726D+01  0.203765D+01 -0.307179D+01 -0.134573D+01
      6  -0.253661D+01  0.221550D+01 -0.287168D+01  0.119784D+02  0.143032D+02
                61            62            63            64            65 
      1  -0.253469D+01 -0.100850D+02 -0.116167D+02  0.635667D-01  0.817401D+00
      2  -0.175618D+01  0.172523D+02  0.335984D+01 -0.370833D+01 -0.980361D+00
      3   0.429087D+01 -0.716726D+01  0.825684D+01  0.364476D+01  0.162959D+00
      4   0.124568D+02 -0.111635D+02 -0.242341D+01  0.104790D+01  0.243940D+01
      5   0.521654D+01 -0.423990D+01 -0.304594D+01  0.122327D+01 -0.844827D+00
      6  -0.244709D+00  0.170813D+02  0.725841D+01 -0.350349D+01 -0.624091D+00
                66            67            68            69            70 
      1   0.186723D+01  0.638054D+00 -0.488304D+01  0.324000D+01  0.237610D+01
      2  -0.634135D+00 -0.899661D+00  0.347397D+01 -0.377489D+01 -0.603652D+00
      3  -0.123310D+01  0.261607D+00  0.140907D+01  0.534890D+00 -0.177244D+01
      4  -0.284464D+01  0.245767D+01 -0.163709D+01  0.152330D+01 -0.406798D+01
      5   0.712540D+01  0.589344D-01  0.133820D+01 -0.280555D+00  0.466583D+01
      6   0.102672D+01 -0.221098D+00 -0.375187D+01  0.761952D+01 -0.245692D+00
                71            72            73            74            75 
      1   0.552305D+01 -0.187879D+02  0.301321D+02 -0.240011D+02  0.482863D+01
      2  -0.540747D+01 -0.145883D+02 -0.168062D+02  0.118866D+02 -0.639846D+01
      3  -0.115581D+00  0.333762D+02 -0.133258D+02  0.121145D+02  0.156982D+01
      4   0.334702D+01 -0.605881D+00 -0.303558D+02  0.728818D+01 -0.491337D+00
      5  -0.131706D+01  0.123346D+02  0.103572D+02 -0.206074D+00  0.103371D+02
      6   0.747269D+01 -0.266428D+02 -0.273922D+01  0.113003D+01 -0.276480D+01
                76            77            78            79            80 
      1  -0.454917D+02 -0.817663D+01 -0.794950D-02  0.198573D+02  0.320590D+00
      2   0.256268D+02  0.101594D+02  0.775046D+00 -0.124833D+02 -0.185911D+00
      3   0.198648D+02 -0.198275D+01 -0.767097D+00 -0.737401D+01 -0.134679D+00
      4   0.690875D+01 -0.231250D+02  0.579446D+01 -0.346080D+01  0.844513D+01
      5  -0.268224D+01  0.605140D+01 -0.611941D+01  0.174574D+02 -0.457165D+01
      6   0.317326D+00 -0.206076D+01  0.714760D+01 -0.258015D+01  0.582167D+01
                81            82            83            84            85 
      1   0.307868D+01  0.325246D+01 -0.118555D+01 -0.491579D+01 -0.111704D+01
      2  -0.101208D+02 -0.494692D+01  0.418821D+00  0.312825D+01  0.541027D+00
      3   0.704210D+01  0.169446D+01  0.766729D+00  0.178754D+01  0.576011D+00
      4  -0.478270D+01 -0.134408D+01  0.122638D+01  0.354854D+00  0.129933D+01
      5   0.663440D+01 -0.471001D+01 -0.330596D+00  0.755651D+01 -0.514981D+00
      6  -0.113407D+01  0.239161D+00  0.627828D-01  0.236289D+00 -0.982392D+00
                86            87            88            89            90 
      1  -0.427160D+01  0.465617D+00 -0.801444D+01  0.129657D+00 -0.157252D+02
      2   0.438541D+00  0.856829D+00  0.638896D+01  0.635499D+00 -0.178516D+02
      3   0.383306D+01 -0.132245D+01  0.162548D+01 -0.765155D+00  0.335767D+02
      4   0.183773D+01 -0.462461D+01  0.252235D+00 -0.564534D+01  0.121267D+01
      5  -0.479122D+01  0.211170D+01  0.817804D+01  0.151022D+01 -0.352185D+02
      6  -0.156545D+00  0.826810D+01 -0.109105D+00  0.511844D+01  0.157068D+01
                91            92            93            94            95 
      1   0.219817D+00 -0.467945D+00  0.222307D+01 -0.377054D+00 -0.236575D+01
      2  -0.312568D+01  0.910994D+00 -0.649157D+00  0.628189D+00 -0.995893D+00
      3   0.290586D+01 -0.443049D+00 -0.157391D+01 -0.251135D+00  0.336164D+01
      4  -0.695801D-01  0.274243D+01  0.162587D+01  0.340531D+01  0.150780D+00
      5   0.177429D+01 -0.644938D-01  0.627486D+01 -0.335644D+00  0.146825D+01
      6   0.183445D+01 -0.261266D+00 -0.677512D+00  0.142423D+00  0.140397D+01
                96            97            98            99           100 
      1  -0.735117D+00  0.275245D+01 -0.207819D+01 -0.191652D+02  0.286183D+02
      2   0.255939D+01 -0.181066D+01  0.351638D+01 -0.177359D+02 -0.118826D+02
      3  -0.182428D+01 -0.941789D+00 -0.143818D+01  0.369011D+02 -0.167357D+02
      4   0.179512D+01  0.297156D+01  0.324427D+01  0.398781D+00  0.247197D+02
      5  -0.883325D+00  0.560184D+01  0.344610D+00  0.134668D+02 -0.379964D+01
      6   0.688831D+01  0.559158D+00  0.513568D+01  0.153666D+02 -0.265376D+01
               101           102           103           104           105 
      1  -0.546617D+01 -0.181089D+01 -0.143217D+01  0.172427D+02  0.579080D+01
      2   0.149600D+02  0.375710D+01  0.697545D+01 -0.171948D+02 -0.482413D+01
      3  -0.949387D+01 -0.194621D+01 -0.554328D+01 -0.479495D-01 -0.966677D+00
      4   0.263910D+02 -0.168497D+01  0.215152D+02  0.202791D+00 -0.298660D+01
      5   0.410223D-01  0.119050D+02 -0.457547D+00 -0.495507D+01  0.164206D+01
      6   0.216911D+00  0.408425D+01  0.233130D+00 -0.708881D+01  0.746140D+01
               106           107           108           109           110 
      1  -0.637910D+01  0.635174D+01 -0.198361D+01 -0.137541D+02 -0.112857D+02
      2   0.264888D+01 -0.102880D+02 -0.505903D+01  0.106686D+02  0.461271D+01
      3   0.373022D+01  0.393622D+01  0.704263D+01  0.308543D+01  0.667294D+01
      4  -0.683549D+01 -0.864392D+01  0.527243D+01 -0.138022D+02  0.539154D+00
      5   0.105970D+02  0.321486D+01 -0.263357D+01  0.132137D+02 -0.269319D+01
      6   0.597930D+01  0.738353D+01 -0.398046D+01 -0.756036D+01  0.485935D+01
               111           112           113           114           115 
      1   0.277887D+01 -0.315474D+02  0.143568D+02  0.199961D+01  0.234599D+02
      2  -0.555071D+01  0.236619D+02 -0.349550D+02 -0.774918D+01 -0.103287D+02
      3   0.277184D+01  0.788550D+01  0.205982D+02  0.574957D+01 -0.131312D+02
      4  -0.606978D+01 -0.769686D+01  0.392749D+02  0.619517D+01 -0.212512D+01
      5  -0.355451D+01  0.239905D+01  0.625661D+01 -0.642850D+01 -0.340002D+01
      6  -0.478962D+01  0.356379D+00 -0.347780D+01 -0.661181D+00  0.884803D+00
               116           117           118           119           120 
      1   0.173723D+01  0.174533D+02  0.308861D+01 -0.203256D+01 -0.236981D+01
      2  -0.541130D+01  0.853050D+01 -0.448995D+01  0.122984D+01  0.201335D+01
      3   0.367407D+01 -0.259838D+02  0.140134D+01  0.802719D+00  0.356452D+00
      4   0.930417D+01  0.570117D+01 -0.255689D+01  0.289178D+01  0.110848D+01
      5   0.531199D+01 -0.448393D+02 -0.329403D+01 -0.364133D+00  0.927657D+01
      6  -0.354970D+01  0.201207D+02  0.131947D+01  0.127870D+00 -0.841356D+00
               121           122           123           124           125 
      1  -0.141897D+01 -0.430742D+01 -0.829104D+00 -0.569946D+01 -0.993195D+00
      2   0.431165D+00  0.124910D+01  0.148068D+01  0.729255D+01  0.948755D+00
      3   0.987803D+00  0.305832D+01 -0.651581D+00 -0.159309D+01  0.444395D-01
      4   0.328983D+01  0.758980D+00 -0.212883D+01  0.349140D+01 -0.307834D+01
      5  -0.284390D-01 -0.314452D+01  0.855776D+00  0.838956D+01 -0.110416D+01
      6  -0.468377D+00  0.162594D+01  0.779759D+01 -0.142862D+01  0.580995D+01
               126           127           128           129           130 
      1  -0.185338D+02  0.222896D+02  0.270067D+01  0.253687D+00  0.674602D+01
      2  -0.161530D+02 -0.238907D+01  0.103101D+02  0.143629D+01  0.647122D+01
      3   0.346868D+02 -0.199006D+02 -0.130108D+02 -0.168998D+01 -0.132172D+02
      4  -0.156636D+01  0.280022D+02  0.328773D+02 -0.487802D+00  0.316201D+02
      5  -0.251113D+02 -0.267772D+01 -0.784581D+00  0.106011D+02  0.163851D+00
      6   0.117421D+02 -0.305361D+00 -0.110102D+01  0.493900D+01  0.951194D+00
               131           132           133           134           135 
      1  -0.868583D+01 -0.770471D+00 -0.104809D+01 -0.446888D+01  0.552544D+01
      2   0.323598D+02  0.252006D+01  0.142169D+01  0.383112D+01 -0.448871D+01
      3  -0.236739D+02 -0.174959D+01 -0.373606D+00  0.637760D+00 -0.103673D+01
      4   0.332955D+02  0.200578D+01  0.382638D+01  0.622472D+01 -0.191599D+01
      5   0.158281D+01 -0.119765D+01  0.641265D+01 -0.278213D+01  0.229026D+02
      6   0.135573D+01  0.530607D+01  0.119916D+01  0.149318D+00  0.274182D+02
               136           137           138           139           140 
      1   0.354479D+00  0.624699D+00  0.357970D+01 -0.273371D+00 -0.336067D+01
      2  -0.314520D+01  0.412194D-01 -0.167441D+01  0.124741D+01  0.129971D+01
      3   0.279072D+01 -0.665918D+00 -0.190529D+01 -0.974043D+00  0.206095D+01
      4   0.149825D+01  0.472931D+01  0.345128D+01  0.466539D+01  0.158342D+01
      5   0.411784D+01  0.674106D+00  0.845461D+01 -0.221048D+00  0.281569D+01
      6   0.382096D+01 -0.438372D-01  0.731046D+00  0.987367D-01  0.364885D+01
               141           142           143           144           145 
      1  -0.218701D+01  0.328969D+01 -0.414028D+01 -0.194173D+02  0.122968D+02
      2   0.349043D+01 -0.386115D+01  0.252741D+01 -0.160808D+02  0.573600D+01
      3  -0.130342D+01  0.571458D+00  0.161287D+01  0.354981D+02 -0.180327D+02
      4   0.233031D+01  0.638734D+01  0.615077D+01  0.369894D+01 -0.359252D+02
      5  -0.601299D+00  0.912886D+01  0.376094D+01  0.268018D+02  0.392847D+00
      6   0.773093D+01  0.340606D+01  0.885906D+01  0.263306D+02 -0.393379D+01
               146           147           148           149           150 
      1   0.159354D+01  0.228404D+01 -0.155120D+01 -0.156006D+01  0.570644D-01
      2  -0.157037D+02  0.323524D+00 -0.659390D+01  0.110729D+02 -0.160331D+01
      3   0.141101D+02 -0.260757D+01  0.814509D+01 -0.951283D+01  0.154625D+01
      4   0.250756D+02 -0.370445D+01  0.172039D+02 -0.137931D+02  0.163896D+01
      5   0.306209D+00  0.340587D+01  0.496047D+00  0.466429D+00 -0.269902D+01
      6   0.102754D+01 -0.672033D+01  0.105518D+01 -0.912353D+00  0.374485D+01
               151           152           153           154           155 
      1   0.223055D+01  0.755409D+00  0.511323D+00  0.492034D+02  0.168273D+02
      2   0.118325D+01 -0.366514D+01  0.970881D+00 -0.269464D+02 -0.953732D+01
      3  -0.341380D+01  0.290973D+01 -0.148220D+01 -0.222570D+02 -0.728994D+01
      4  -0.787730D+01  0.532824D+01 -0.432091D+01  0.131692D+02  0.144438D+02
      5   0.335279D+01 -0.182915D+01  0.133923D+01  0.100775D+01 -0.538810D-01
      6  -0.422004D+01  0.371016D+01 -0.856057D+00  0.130832D+01  0.135516D+01
               156           157           158           159           160 
      1  -0.119012D+01  0.351610D+02  0.134378D+02 -0.893030D-02 -0.594184D+01
      2  -0.223341D+00 -0.200356D+02 -0.614485D+01 -0.451989D+00  0.345570D+01
      3   0.141346D+01 -0.151254D+02 -0.729294D+01  0.460919D+00  0.248614D+01
      4  -0.421210D+00  0.131463D+02  0.161395D+02 -0.146555D+01 -0.170590D+01
      5   0.785831D+01  0.913630D+00 -0.146918D+01  0.498665D+01  0.584118D+01
      6   0.399131D-01  0.140420D+01  0.935947D+00 -0.276296D+00  0.409191D+00
               161           162           163           164           165 
      1  -0.189364D+01  0.403640D+01 -0.176683D+01  0.566674D+01  0.101430D+01
      2   0.911845D+00 -0.267991D+01  0.313936D+01 -0.711621D+01 -0.969482D+00
      3   0.981796D+00 -0.135648D+01 -0.137252D+01  0.144947D+01 -0.448192D-01
      4  -0.237970D+01  0.172772D+01 -0.182242D+01 -0.525871D+00  0.441327D+00
      5   0.216558D+01  0.293532D+00  0.273506D+00 -0.542662D+00 -0.530357D+00
      6   0.971699D+00 -0.684771D+00  0.115860D+01 -0.799176D+00  0.194324D+00
               166           167           168           169           170 
      1   0.663304D+01 -0.284395D+02 -0.228415D+01  0.149459D+01 -0.530540D+01
      2  -0.231413D+01  0.469151D+02  0.382915D+01 -0.976501D+00  0.730423D+01
      3  -0.431891D+01 -0.184756D+02 -0.154500D+01 -0.518090D+00 -0.199883D+01
      4   0.809426D+01  0.257261D+02  0.161078D+01  0.119986D+01  0.396133D+01
      5  -0.325384D+00  0.293700D+01  0.408875D+01  0.709051D+00  0.237091D+01
      6  -0.282383D+00  0.378322D+01  0.608904D+01  0.153419D+00  0.560754D+01
               171           172           173           174           175 
      1  -0.274575D+01  0.817078D+02  0.282986D+01 -0.604819D+01  0.281426D+01
      2   0.374385D+01 -0.476069D+02 -0.231607D+00  0.737982D+01 -0.345008D+01
      3  -0.998103D+00 -0.341009D+02 -0.259825D+01 -0.133164D+01  0.635827D+00
      4   0.197395D+01 -0.424336D+01  0.159032D+02  0.290132D+01  0.231884D+02
      5   0.915861D-01 -0.127496D+02  0.125940D+01  0.161497D+02  0.680721D-01
      6   0.155988D+01  0.348856D+01 -0.229069D+01  0.209100D+01 -0.126166D+01
               176           177           178           179           180 
      1   0.125183D+02  0.317491D+01 -0.231685D+02 -0.160423D+00  0.722404D+01
      2  -0.630654D+00  0.112752D+01  0.141528D+02 -0.629801D+00 -0.139631D+02
      3  -0.118876D+02 -0.430243D+01  0.901566D+01  0.790224D+00  0.673904D+01
      4  -0.325757D+02 -0.430802D+01  0.128443D+01 -0.587267D+01 -0.141013D+01
      5  -0.485712D+01 -0.316579D+01  0.227716D+02  0.905348D+00 -0.839506D+01
      6   0.128879D+01  0.939113D+01 -0.253240D+01  0.533183D+01 -0.642424D+00
               181           182           183           184           185 
      1   0.306240D+01 -0.646981D+01 -0.316752D+01 -0.680961D+01 -0.213658D+02
      2   0.325656D+01  0.142118D+01  0.103652D+01 -0.373803D+01  0.495351D+02
      3  -0.631896D+01  0.504863D+01  0.213099D+01  0.105476D+02 -0.281693D+02
      4  -0.875826D+01  0.112873D+02  0.180888D+01  0.203539D+02 -0.544085D+02
      5  -0.290345D+01  0.532537D+00  0.279502D+01  0.390870D+00 -0.348430D+01
      6   0.185462D+01 -0.598276D+00 -0.105240D+01  0.200419D+00  0.199177D+01
               186           187           188           189           190 
      1  -0.173123D+01 -0.560230D+01 -0.353815D+01 -0.381142D+01  0.132708D+01
      2   0.442707D+01  0.139425D+01  0.748629D+01  0.334773D+01 -0.458492D+01
      3  -0.269584D+01  0.420805D+01 -0.394814D+01  0.463688D+00  0.325784D+01
      4  -0.407981D+01  0.478633D+01 -0.944284D+01 -0.683360D+01  0.111707D+01
      5  -0.617293D+01  0.362240D+01 -0.686033D+01  0.119337D+01  0.658237D+01
      6   0.750792D+01 -0.192480D+01  0.799894D+01  0.197108D+01 -0.219835D+01
               191           192           193           194           195 
      1   0.145905D+01  0.836709D+01  0.578397D+01 -0.468087D+01  0.968583D+00
      2  -0.132742D+01 -0.416741D+01 -0.430699D+01  0.367742D+01 -0.260187D+01
      3  -0.131629D+00 -0.419968D+01 -0.147698D+01  0.100345D+01  0.163328D+01
      4   0.163721D+01 -0.234576D+01  0.123366D+01 -0.478571D+01  0.471880D+01
      5  -0.517520D+00  0.663568D+01 -0.670650D-02  0.504839D+01  0.289638D+01
      6  -0.815580D+00  0.768636D+00  0.332720D+00 -0.169331D+01  0.469731D+01
               196           197           198           199           200 
      1   0.107934D+02  0.406060D+01 -0.218028D+02  0.814286D+00  0.168011D+01
      2  -0.777238D+01 -0.265996D+01 -0.155022D+02 -0.837320D+00 -0.476058D+00
      3  -0.302099D+01 -0.140064D+01  0.373050D+02  0.230341D-01 -0.120405D+01
      4  -0.457306D+01  0.730027D+01 -0.661716D+01  0.216546D+01  0.130673D+01
      5   0.110219D+02 -0.648737D+01  0.512467D+02 -0.132818D+01 -0.274647D+00
      6  -0.250479D+01  0.896724D+01 -0.228748D+02 -0.208763D+01  0.997449D+00
               201           202           203           204           205 
      1  -0.306562D+01  0.177854D+01 -0.461480D+01  0.267035D+01 -0.543755D+01
      2   0.138775D+01  0.993263D-01  0.680928D+01 -0.422438D+01  0.156198D+01
      3   0.167787D+01 -0.187786D+01 -0.219448D+01  0.155402D+01  0.387556D+01
      4  -0.189000D+01  0.313580D+01  0.552955D+01 -0.358693D+01 -0.105341D+02
      5  -0.467196D-01 -0.107290D+01 -0.321978D+01  0.565821D+01  0.595221D+01
      6  -0.210739D+01 -0.113052D+01 -0.529291D+01  0.813497D+01  0.519053D+01
               206           207           208           209           210 
      1   0.814336D+01 -0.112075D+02 -0.362272D+00  0.684789D+01  0.106844D+01
      2  -0.105073D+02  0.290715D+01  0.187240D+01 -0.281602D+01 -0.184377D+00
      3   0.236389D+01  0.830030D+01 -0.151013D+01 -0.403187D+01 -0.884064D+00
      4  -0.131660D+02  0.106292D+02  0.672863D+01 -0.775932D+00 -0.424286D+00
      5   0.103162D+02 -0.264453D+02  0.419775D+00 -0.813719D+00  0.150483D+01
      6   0.149592D+02 -0.323518D+02 -0.197591D+00 -0.255449D+00  0.167529D+01
               211           212           213           214           215 
      1   0.294012D+02 -0.293854D+01 -0.220710D+01  0.173892D+01 -0.827926D+00
      2  -0.172064D+02  0.191140D+01  0.206896D+01 -0.104460D+01  0.456858D+00
      3  -0.121948D+02  0.102714D+01  0.138139D+00 -0.694319D+00  0.371068D+00
      4  -0.368562D+01  0.404920D+02 -0.105646D+00 -0.762800D+00  0.131740D+01
      5  -0.274108D+01  0.515632D+00  0.977017D+01  0.269742D+01  0.209616D+01
      6   0.808923D+00 -0.129694D+01 -0.240530D+01 -0.272861D-01  0.184243D+01
               216 
      1   0.111352D+01
      2  -0.935362D+00
      3  -0.178160D+00
      4   0.144081D+01
      5  -0.211674D+01
      6   0.264071D+00
 Leave Link  716 at Wed Mar 16 19:35:11 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124416D+03  0.135443D+01 -0.407391D+00
      2   0.135443D+01  0.113481D+03 -0.178096D+01
      3  -0.407391D+00 -0.178096D+01  0.970543D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.137880D+01 -0.490738D+01  0.606978D+01
      2  -0.459957D+01 -0.489534D+00  0.545138D+01
      3  -0.711289D+01 -0.114005D+02  0.142167D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.317733D+02 -0.982978D+01 -0.194452D+02
      2  -0.258830D+02  0.103644D+02  0.147199D+02
      3  -0.589035D+01 -0.534596D+00  0.472530D+01
      4  -0.202217D+02 -0.748007D+01 -0.223744D+01
      5  -0.119862D+02 -0.369805D+01  0.100096D+02
      6  -0.892890D+00  0.132447D+02 -0.112412D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.324732D+01  0.248089D+01 -0.886620D+00  0.165028D+01  0.260382D+01
      2   0.248089D+01  0.258151D+01  0.251021D+00  0.260382D+01 -0.469074D+01
      3  -0.886620D+00  0.251021D+00 -0.738121D+00  0.366929D+00 -0.136475D+01
                 6             7             8             9            10 
      1   0.366929D+00 -0.133047D+01  0.588365D+00 -0.493191D+00  0.417784D+01
      2  -0.136475D+01  0.588365D+00 -0.267750D+01 -0.975496D+00 -0.225790D+01
      3   0.832794D+00 -0.493191D+00 -0.975496D+00  0.112171D+02  0.133238D+01
                11            12            13            14            15 
      1  -0.225790D+01  0.133238D+01 -0.299366D+01 -0.252737D+01 -0.625635D+00
      2  -0.176343D+01 -0.327726D+00 -0.252737D+01  0.231432D+01  0.926844D+00
      3  -0.327726D+00 -0.127528D+01 -0.625635D+00  0.926844D+00  0.147861D+01
                16            17            18            19            20 
      1   0.253557D+01 -0.924991D+00  0.564630D+00  0.157877D+01 -0.281095D+01
      2  -0.924991D+00  0.147760D+01  0.529334D+00 -0.281095D+01 -0.242090D+01
      3   0.564630D+00  0.529334D+00 -0.113908D+02  0.100853D+01  0.203077D+00
                21            22            23            24            25 
      1   0.100853D+01 -0.420457D+01 -0.359631D+01  0.105722D+00  0.219174D+01
      2   0.203077D+00 -0.359631D+01  0.285618D+01  0.105445D+01  0.348750D+00
      3   0.111138D+01  0.105722D+00  0.105445D+01  0.163235D+01  0.107815D+00
                26            27            28            29            30 
      1   0.348750D+00  0.107815D+00  0.419099D+00  0.402831D+01 -0.117511D+01
      2   0.228223D+01  0.604190D+00  0.402831D+01  0.218606D+01 -0.804994D-01
      3   0.604190D+00 -0.107967D+02 -0.117511D+01 -0.804994D-01 -0.117271D+01
                31            32            33            34            35 
      1   0.439722D+01  0.335952D+01  0.118613D+00 -0.168104D+01  0.235107D+00
      2   0.335952D+01 -0.401731D+01 -0.105942D+01  0.235107D+00 -0.219316D+01
      3   0.118613D+00 -0.105942D+01 -0.953431D+00 -0.815675D+00  0.916818D-01
                36            37            38            39            40 
      1  -0.815675D+00  0.220944D+01 -0.371660D+01  0.565555D+00 -0.501566D+01
      2   0.916818D-01 -0.371660D+01 -0.507550D+00 -0.658821D+00 -0.116494D+01
      3   0.111324D+02  0.565555D+00 -0.658821D+00  0.905705D-01 -0.157954D+00
                41            42            43            44            45 
      1  -0.116494D+01 -0.157954D+00  0.352022D+01  0.236775D+00  0.219809D+00
      2  -0.411242D+01  0.117456D+01  0.236775D+00  0.172317D+01 -0.108317D+01
      3   0.117456D+01  0.905342D+00  0.219809D+00 -0.108317D+01 -0.139787D+01
                46            47            48            49            50 
      1  -0.443522D+01  0.925332D+00 -0.197657D+00  0.369032D+01  0.250830D+01
      2   0.925332D+00  0.215144D+01  0.119773D+01  0.250830D+01 -0.188009D+01
      3  -0.197657D+00  0.119773D+01 -0.518304D+00  0.127167D+00 -0.700197D+00
                51            52            53            54            55 
      1   0.127167D+00 -0.208743D+01  0.339135D+00  0.427003D+00  0.516143D+01
      2  -0.700197D+00  0.339135D+00 -0.217724D+01  0.302655D+00 -0.942779D+00
      3  -0.266431D+01  0.427003D+00  0.302655D+00  0.110629D+02  0.169288D+01
                56            57            58            59            60 
      1  -0.942779D+00  0.169288D+01 -0.444430D+00 -0.924930D-01 -0.308101D+00
      2   0.204191D+01 -0.229627D+00 -0.924930D-01  0.942031D+01  0.154038D+01
      3  -0.229627D+00  0.117931D+01 -0.308101D+00  0.154038D+01 -0.752337D+00
                61            62            63            64            65 
      1   0.248831D+01 -0.114372D+01  0.174556D-01  0.566962D+00 -0.435191D+00
      2  -0.114372D+01  0.382149D+01  0.200117D+01 -0.435191D+00 -0.427828D+00
      3   0.174556D-01  0.200117D+01  0.205069D+00 -0.109875D+01 -0.289252D-01
                66            67            68            69            70 
      1  -0.109875D+01 -0.191942D+00 -0.409092D+00  0.177499D-02 -0.207185D+01
      2  -0.289252D-01 -0.409092D+00  0.953374D+00 -0.124041D+01  0.115664D+00
      3   0.288960D+00  0.177499D-02 -0.124041D+01  0.509359D+00 -0.624271D-02
                71            72            73            74            75 
      1   0.115664D+00 -0.624271D-02 -0.494785D+01  0.401566D+01 -0.128243D+01
      2  -0.222521D+01  0.103659D+01  0.401566D+01  0.116822D+01 -0.166577D+00
      3   0.103659D+01 -0.962854D+01 -0.128243D+01 -0.166577D+00  0.143727D+01
                76            77            78            79            80 
      1   0.748106D+01 -0.416060D+00  0.283704D+00 -0.365730D+01  0.247177D+00
      2  -0.416060D+00  0.410344D+01 -0.117851D+01  0.247177D+00 -0.141334D+01
      3   0.283704D+00 -0.117851D+01  0.583308D+00 -0.180681D+01  0.578332D+00
                81            82            83            84            85 
      1  -0.180681D+01 -0.835749D+00  0.436306D+00  0.123752D+01  0.402413D+00
      2   0.578332D+00  0.436306D+00  0.314709D+00  0.521243D-01  0.362842D+00
      3  -0.180068D+00  0.123752D+01  0.521243D-01 -0.364930D+00  0.643060D-01
                86            87            88            89            90 
      1   0.362842D+00  0.643060D-01  0.231520D+01  0.141298D+00 -0.900409D+00
      2  -0.543069D+00  0.118073D+01  0.141298D+00  0.187752D+01 -0.291607D+00
      3   0.118073D+01 -0.581522D+00 -0.900409D+00 -0.291607D+00  0.975864D+01
                91            92            93            94            95 
      1  -0.335992D+00  0.289830D+00  0.118510D+01  0.430307D+00  0.554716D+00
      2   0.289830D+00  0.565684D+00  0.496617D-01  0.554716D+00 -0.487349D+00
      3   0.118510D+01  0.496617D-01 -0.486230D-01  0.754534D-01  0.104441D+01
                96            97            98            99           100 
      1   0.754534D-01  0.218432D+01 -0.132776D-01  0.328331D+00  0.717281D+01
      2   0.104441D+01 -0.132776D-01  0.203225D+01  0.167542D+00  0.252683D+01
      3  -0.352526D+00  0.328331D+00  0.167542D+00  0.952036D+01 -0.922243D+00
               101           102           103           104           105 
      1   0.252683D+01 -0.922243D+00  0.885066D+00  0.390950D+01  0.280837D+00
      2   0.426437D+01  0.295652D+00  0.390950D+01 -0.337930D+01 -0.126341D+01
      3   0.295652D+00 -0.455003D+00  0.280837D+00 -0.126341D+01 -0.141308D+01
               106           107           108           109           110 
      1  -0.219574D+01 -0.507229D+00  0.139920D+01  0.887329D+00 -0.345730D+01
      2  -0.507229D+00 -0.266338D+01  0.735780D+00 -0.345730D+01  0.665307D+00
      3   0.139920D+01  0.735780D+00 -0.226238D-01  0.204039D+01 -0.515474D+00
               111           112           113           114           115 
      1   0.204039D+01 -0.360714D+01 -0.224561D+01  0.998740D-01  0.366278D+01
      2  -0.515474D+00 -0.224561D+01  0.870820D+01  0.156304D+01  0.336945D-01
      3   0.142041D+01  0.998740D-01  0.156304D+01 -0.527247D+00 -0.372485D+00
               116           117           118           119           120 
      1   0.336945D-01 -0.372485D+00  0.101381D+01 -0.677148D+00 -0.128922D+01
      2   0.179757D+01  0.111623D+01 -0.677148D+00 -0.125406D+00 -0.606246D-01
      3   0.111623D+01 -0.101112D+02 -0.128922D+01 -0.606246D-01  0.891574D+00
               121           122           123           124           125 
      1  -0.765798D+00 -0.149380D+00 -0.117573D+00 -0.287100D+01 -0.185805D+00
      2  -0.149380D+00  0.327207D+00 -0.111325D+01 -0.185805D+00 -0.163010D+01
      3  -0.117573D+00 -0.111325D+01 -0.852631D-01  0.124060D+01 -0.521837D+00
               126           127           128           129           130 
      1   0.124060D+01 -0.497858D+01 -0.296985D+01  0.206358D+00 -0.312599D+01
      2  -0.521837D+00 -0.296985D+01 -0.307884D+01 -0.713832D-01 -0.325924D+01
      3  -0.964782D+01  0.206358D+00 -0.713832D-01  0.147705D+00 -0.453103D+00
               131           132           133           134           135 
      1  -0.325924D+01 -0.453103D+00 -0.697706D+00 -0.865339D+00 -0.168677D+00
      2  -0.619390D+01 -0.542040D+00 -0.865339D+00 -0.202386D+01  0.994990D+00
      3  -0.542040D+00  0.181339D+01 -0.168677D+00  0.994990D+00 -0.666531D+01
               136           137           138           139           140 
      1  -0.128709D-01 -0.416440D+00 -0.140277D+01 -0.546670D+00 -0.663552D+00
      2  -0.416440D+00 -0.529831D+00 -0.143332D+00 -0.663552D+00 -0.311221D+00
      3  -0.140277D+01 -0.143332D+00 -0.310717D+00  0.834428D-01 -0.108975D+01
               141           142           143           144           145 
      1   0.834428D-01 -0.264955D+01 -0.378580D+00 -0.121454D+01 -0.662018D+01
      2  -0.108975D+01 -0.378580D+00 -0.170634D+01 -0.138940D+01  0.342901D+01
      3  -0.220623D+00 -0.121454D+01 -0.138940D+01 -0.985375D+01 -0.694686D+00
               146           147           148           149           150 
      1   0.342901D+01 -0.694686D+00  0.262990D+01 -0.197493D+01  0.138904D+00
      2  -0.428109D+01  0.101600D+00 -0.197493D+01  0.266053D+01 -0.232475D+00
      3   0.101600D+00 -0.143404D+01  0.138904D+00 -0.232475D+00  0.975371D+00
               151           152           153           154           155 
      1  -0.152335D+01  0.711788D+00 -0.702183D+00 -0.728193D+01 -0.236520D+01
      2   0.711788D+00 -0.106506D+01  0.585452D+00 -0.236520D+01 -0.256597D+01
      3  -0.702183D+00  0.585452D+00 -0.135980D+00 -0.152617D-01  0.802879D-01
               156           157           158           159           160 
      1  -0.152617D-01 -0.530831D+01 -0.203750D+01 -0.118944D+00  0.902605D+00
      2   0.802879D-01 -0.203750D+01 -0.296171D+01  0.300180D+00  0.256923D+00
      3  -0.142152D+01 -0.118944D+00  0.300180D+00 -0.813631D+00 -0.717756D+00
               161           162           163           164           165 
      1   0.256923D+00 -0.717756D+00 -0.669387D+00  0.633024D+00  0.232637D+00
      2   0.475834D+00 -0.214911D+00  0.633024D+00 -0.127222D+01 -0.119174D+00
      3  -0.214911D+00 -0.867613D-01  0.232637D+00 -0.119174D+00  0.139371D+00
               166           167           168           169           170 
      1   0.276880D+01  0.483222D+00 -0.170777D+00  0.630798D+00 -0.770891D-01
      2   0.483222D+00  0.955022D+01  0.637708D+00 -0.770891D-01  0.155140D+01
      3  -0.170777D+00  0.637708D+00  0.158517D+01  0.109330D+00  0.812003D+00
               171           172           173           174           175 
      1   0.109330D+00  0.983070D+01  0.104083D+01 -0.162039D+01 -0.439314D-01
      2   0.812003D+00  0.104083D+01  0.998375D+00  0.270021D+00  0.321265D+01
      3   0.142491D+00 -0.162039D+01  0.270021D+00 -0.109193D+00  0.223685D+00
               176           177           178           179           180 
      1   0.321265D+01  0.223685D+00 -0.333164D+01 -0.248151D+00  0.212215D+01
      2  -0.583407D+01 -0.637435D+00 -0.248151D+00 -0.735600D+00  0.834564D-01
      3  -0.637435D+00 -0.120683D+01  0.212215D+01  0.834564D-01 -0.645671D+00
               181           182           183           184           185 
      1   0.660420D+00 -0.118817D+01 -0.639054D+00 -0.256464D+01  0.249623D+01
      2  -0.118817D+01  0.607307D+00  0.114286D+00  0.249623D+01 -0.110279D+02
      3  -0.639054D+00  0.114286D+00  0.243184D+00  0.117661D+00 -0.896103D+00
               186           187           188           189           190 
      1   0.117661D+00 -0.135013D+01  0.428368D+00  0.485319D+00  0.449117D-01
      2  -0.896103D+00  0.428368D+00 -0.194625D+01 -0.135702D+01  0.345593D+00
      3  -0.114941D+01  0.485319D+00 -0.135702D+01  0.213481D+00  0.125892D+01
               191           192           193           194           195 
      1   0.345593D+00  0.125892D+01  0.983155D+00  0.238546D+00 -0.156373D-01
      2   0.111919D-01  0.599317D-01  0.238546D+00 -0.906797D+00  0.102613D+01
      3   0.599317D-01 -0.185109D+00 -0.156373D-01  0.102613D+01  0.569096D+00
               196           197           198           199           200 
      1   0.237486D+01 -0.197999D+00  0.102432D+01 -0.428116D+00 -0.224881D+00
      2  -0.197999D+00  0.163676D+01 -0.128023D+01 -0.224881D+00 -0.887625D-01
      3   0.102432D+01 -0.128023D+01  0.105356D+02  0.376661D+00 -0.144543D+00
               201           202           203           204           205 
      1   0.376661D+00 -0.564377D+00 -0.320552D+00  0.247022D+00  0.235069D+01
      2  -0.144543D+00 -0.320552D+00 -0.146525D+01  0.931273D+00  0.107063D+01
      3   0.401035D+00  0.247022D+00  0.931273D+00 -0.153423D+01 -0.116316D+01
               206           207           208           209           210 
      1   0.107063D+01 -0.116316D+01  0.696823D-01  0.131080D+01  0.872636D-01
      2   0.340856D+01 -0.277969D+01  0.131080D+01 -0.494261D+00 -0.128687D+00
      3  -0.277969D+01  0.702254D+01  0.872636D-01 -0.128687D+00  0.682782D+00
               211           212           213           214           215 
      1   0.405859D+01 -0.872334D+00 -0.367369D+00  0.290099D+00 -0.211502D+00
      2  -0.872334D+00  0.691739D+01 -0.619563D-01 -0.211502D+00  0.372650D+00
      3  -0.367369D+00 -0.619563D-01  0.136964D+01  0.315172D+00  0.253950D+00
               216 
      1   0.315172D+00
      2   0.253950D+00
      3  -0.247429D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.107763D+01  0.160601D+00 -0.565047D+00 -0.155555D+01  0.210511D+01
      2   0.970818D+00 -0.106414D+00  0.161335D+01  0.832196D+00  0.176473D+01
      3  -0.132318D+01  0.404454D+00 -0.820213D+00  0.568773D+01 -0.132646D+01
                 6             7             8             9            10 
      1   0.125365D+01  0.639856D+00  0.402330D+01 -0.100043D+02 -0.700727D+00
      2   0.255941D+00 -0.256245D+01  0.245747D-01 -0.646446D+01 -0.244537D+01
      3  -0.188144D+00 -0.817492D+00 -0.189692D+01 -0.115838D+01 -0.301291D+01
                11            12            13            14            15 
      1  -0.234787D+01 -0.887227D+00 -0.151877D+00 -0.162917D+01 -0.241258D+01
      2  -0.330037D+00 -0.144213D-01  0.455741D+00 -0.142362D+01 -0.201976D+01
      3  -0.502912D+01 -0.202350D+00  0.109393D+01  0.268875D+01  0.240386D+01
                16            17            18            19            20 
      1  -0.113094D+01  0.229450D+01 -0.993678D+00 -0.178112D+01  0.889630D-01
      2  -0.377844D+01 -0.109934D+01  0.149494D+02 -0.291172D+00  0.122342D+01
      3  -0.959928D+00  0.214945D+01  0.932803D+00  0.219149D+01 -0.397387D+01
                21            22            23            24            25 
      1   0.101571D+01 -0.118268D+01 -0.136481D+01 -0.866995D+00  0.647523D+00
      2  -0.136778D+00  0.382072D+00  0.101561D+01 -0.426561D+00 -0.414225D+01
      3   0.185695D+00  0.229217D+01 -0.398911D+01 -0.156973D+01  0.209502D+01
                26            27            28            29            30 
      1   0.206278D+01  0.626688D+01 -0.169211D+01  0.673487D+00  0.138728D+01
      2   0.294536D+00 -0.572998D+01 -0.197932D+01  0.103845D+01 -0.265708D+01
      3  -0.106350D+01 -0.477085D+00 -0.715706D+01 -0.898044D+01  0.304542D+00
                31            32            33            34            35 
      1  -0.634317D+00  0.110223D+00 -0.191737D+00 -0.853980D-01  0.327539D+01
      2  -0.711314D+00 -0.975697D+00 -0.336109D+01 -0.538452D+01  0.756658D+00
      3  -0.519611D+01  0.635076D+01  0.195390D+01  0.817104D+00  0.950884D+00
                36            37            38            39            40 
      1   0.473806D+01  0.209353D+01 -0.251584D+00 -0.131932D+01  0.436418D+00
      2   0.164816D+02  0.843210D+00  0.184059D+00  0.123935D+02 -0.180694D+00
      3   0.564587D+00 -0.343239D+01 -0.214681D+01 -0.153321D+01  0.197425D+02
                41            42            43            44            45 
      1   0.856789D+00 -0.534699D+01  0.194185D+01  0.272124D+01  0.457040D+00
      2  -0.139632D+00  0.719678D+00 -0.768423D+01 -0.154591D+01  0.130924D+01
      3   0.228430D+01  0.628136D-01 -0.512086D+01 -0.596119D+00 -0.280517D+00
                46            47            48            49            50 
      1  -0.294146D+00  0.191219D+00 -0.511524D+00 -0.113544D+01  0.112938D+00
      2   0.134521D+01  0.234880D+00 -0.527837D+01 -0.182903D+00  0.207948D+01
      3   0.787795D+01  0.524139D+01  0.691670D+00 -0.724382D+00 -0.157865D+01
                51            52            53            54            55 
      1  -0.351173D+00 -0.169554D+01  0.307465D+01  0.100227D+02 -0.472502D+01
      2   0.356506D+01 -0.424906D+01 -0.151382D+01 -0.168265D+02 -0.394963D+01
      3  -0.185823D+01  0.226529D+01 -0.259446D+01 -0.437747D+00  0.170562D+02
                56            57            58            59            60 
      1   0.173460D+01 -0.183303D+01  0.223311D+01 -0.404586D+01 -0.680088D+01
      2   0.296720D+01  0.136075D+01  0.763416D+00 -0.228182D+01 -0.262528D+00
      3  -0.577368D+01  0.304695D+01  0.452653D+01  0.984833D+01  0.184238D+00
                61            62            63            64            65 
      1  -0.109934D+01  0.120586D+01 -0.341322D+01  0.133488D+01 -0.443384D-02
      2  -0.517589D+01 -0.311377D+00 -0.121399D+01  0.101097D+01 -0.485548D+00
      3   0.669500D+01  0.183226D+01  0.190081D+01  0.373184D+00 -0.174413D+01
                66            67            68            69            70 
      1  -0.492370D+00  0.892896D-01  0.156936D+01 -0.741824D+00 -0.278978D+00
      2   0.106301D+01 -0.338789D+00  0.541086D+00 -0.406246D-01 -0.444153D+01
      3  -0.124204D+01  0.663747D+00  0.202850D+00 -0.786917D+00 -0.268012D+01
                71            72            73            74            75 
      1   0.399441D+01  0.107938D+02 -0.106158D+01  0.147774D+00  0.150857D+01
      2  -0.478842D+00  0.622043D+01  0.563324D+01  0.157490D+01  0.484679D+01
      3  -0.121370D+01  0.946575D+00  0.122224D+02 -0.339737D+00 -0.425891D+00
                76            77            78            79            80 
      1  -0.219480D+01 -0.686109D+00 -0.299663D+01  0.157985D+01  0.388263D+01
      2   0.141466D+01  0.322987D+01 -0.400036D+01 -0.114119D+01 -0.185960D+01
      3   0.843531D+01  0.182333D+02 -0.233673D+01 -0.324750D+00 -0.574340D+01
                81            82            83            84            85 
      1   0.642738D+00  0.121081D+00  0.293292D+00 -0.185059D-01  0.581147D+00
      2   0.297568D+01 -0.218667D+01 -0.127750D+00  0.878590D+00  0.818382D-01
      3   0.108418D+01  0.750433D+00 -0.475953D+00  0.112771D+00  0.166448D+01
                86            87            88            89            90 
      1  -0.425991D+00 -0.162348D+01  0.287909D+00  0.447896D+01 -0.996769D+00
      2  -0.202797D+01  0.101782D+01 -0.358873D+01  0.374368D+00 -0.151249D+02
      3  -0.575643D+00  0.156294D+01  0.316935D+00  0.332008D+01  0.672443D-01
                91            92            93            94            95 
      1  -0.928531D+00  0.214454D+00  0.478119D+00  0.188654D+00 -0.129427D+01
      2   0.160040D+01  0.202036D+00  0.359074D+00  0.539524D+00  0.319794D+00
      3  -0.335295D+00 -0.112433D+01  0.862313D+00  0.118126D+01  0.223818D+00
                96            97            98            99           100 
      1  -0.652162D+00 -0.468319D+00  0.464146D+01 -0.720578D+01  0.222215D+01
      2  -0.637752D+00 -0.498060D+01  0.398158D+00  0.580588D+01 -0.179013D+01
      3  -0.477704D+00  0.135898D+01 -0.133781D+01 -0.655691D-01  0.100196D+02
               101           102           103           104           105 
      1  -0.309220D+00 -0.236187D+01  0.910728D+00  0.483919D+01 -0.279996D+01
      2  -0.725826D+00  0.607661D+01  0.541620D+00 -0.210271D+01  0.957533D+00
      3  -0.121054D+02 -0.153162D+01 -0.185755D+01  0.147520D+02  0.280938D+01
               106           107           108           109           110 
      1  -0.202407D+01  0.409062D+01  0.201796D+01  0.164525D+01 -0.131533D+00
      2  -0.175975D+01  0.106992D+01 -0.162789D+01  0.290961D+01 -0.478482D+00
      3  -0.459347D+01  0.475186D+01  0.838955D+00  0.382671D+01  0.382694D+01
               111           112           113           114           115 
      1   0.228124D+01 -0.181288D+01  0.849240D+01 -0.128355D+01 -0.158580D+01
      2   0.637705D+00  0.271474D+00  0.362205D+01 -0.309936D+01 -0.490465D+01
      3  -0.118779D+01  0.125577D+02 -0.165458D+02 -0.362362D+01 -0.338848D+01
               116           117           118           119           120 
      1   0.316068D+01 -0.152128D+02 -0.506642D+00  0.963450D-01  0.718312D+00
      2   0.286235D+01 -0.207505D+02 -0.120030D+01 -0.440439D+00  0.212090D+01
      3  -0.462849D+01 -0.241165D+01  0.538718D+00 -0.171856D+00  0.111099D+01
               121           122           123           124           125 
      1  -0.752251D-01 -0.113376D+01 -0.818567D+00  0.455874D+00  0.403172D+01
      2   0.206338D-01 -0.142267D+01  0.417251D-01 -0.407536D+01 -0.542334D+00
      3   0.223331D+01 -0.113115D+01  0.156955D+01  0.233966D+01  0.277793D+01
               126           127           128           129           130 
      1  -0.466907D+01  0.141799D+00 -0.486480D+00 -0.221376D+01  0.425213D+00
      2  -0.123783D+02 -0.499654D+00 -0.159608D+01  0.668273D+01  0.602986D+00
      3  -0.496580D+00  0.635427D+01 -0.717100D+01  0.709800D+00  0.689269D+01
               131           132           133           134           135 
      1   0.135258D+00 -0.370619D+01  0.173280D+01  0.575422D+01 -0.153976D+02
      2   0.765406D+00 -0.126106D+01 -0.143700D+01 -0.334804D+01  0.135872D+02
      3  -0.657697D+01 -0.624034D+00  0.362141D+00 -0.115772D+01  0.285566D+01
               136           137           138           139           140 
      1  -0.156532D+01  0.554721D-01 -0.417621D+00  0.791640D+00 -0.140032D+01
      2   0.213675D+01 -0.648376D-02  0.108427D+01  0.224871D+00  0.114541D+01
      3  -0.644784D+00 -0.156057D+01  0.200163D+01  0.769342D+00  0.109043D+01
               141           142           143           144           145 
      1  -0.742045D+00 -0.838466D+00  0.345577D+01 -0.103414D+02  0.367059D+01
      2  -0.183813D+00 -0.374421D+01  0.148868D+01  0.137875D+02  0.361593D+01
      3  -0.156691D+01  0.362492D+01 -0.209659D+01  0.878107D+00 -0.173365D+02
               146           147           148           149           150 
      1  -0.161150D+01  0.421419D+01 -0.108624D+01  0.128282D+01 -0.219445D+01
      2  -0.194013D+01  0.307513D+01 -0.139437D+01  0.107447D+01 -0.166696D+01
      3   0.252968D+01 -0.229902D+01  0.509962D+01 -0.271874D+01  0.164388D+00
               151           152           153           154           155 
      1   0.220946D+01 -0.892530D+00  0.667004D+00  0.146652D+01  0.957910D+00
      2   0.913652D+00 -0.114717D+01  0.626286D+00 -0.261687D+01 -0.148719D+01
      3  -0.442782D+01  0.410112D+00 -0.127457D+01 -0.109297D+02 -0.106694D+02
               156           157           158           159           160 
      1  -0.363617D+00  0.124957D+01  0.997680D+00 -0.396662D+00 -0.238196D+00
      2   0.465449D+01 -0.200444D+01 -0.199902D+01  0.330442D+01  0.159037D+01
      3   0.268864D+00 -0.835998D+01 -0.143133D+02  0.114092D+01  0.102794D+01
               161           162           163           164           165 
      1   0.732901D+00  0.267933D+00 -0.488790D+00  0.720945D+00  0.273628D+00
      2   0.993853D+00  0.236643D-01  0.549158D+00 -0.331963D+00 -0.264512D+00
      3   0.249816D+01 -0.885383D+00 -0.503997D+01  0.505978D+01  0.107385D+01
               166           167           168           169           170 
      1   0.578190D+00 -0.337326D+01 -0.425066D+01 -0.126160D+00 -0.139215D+01
      2  -0.500456D+00  0.863450D+00  0.209175D+01 -0.867222D+00  0.123112D+01
      3   0.788921D+01 -0.200446D+02 -0.205305D+01  0.232308D+01 -0.375193D+01
               171           172           173           174           175 
      1  -0.593453D+00 -0.115829D+01 -0.999913D+00 -0.190834D+01  0.105212D+01
      2   0.184961D+00 -0.414277D+01 -0.846819D+00  0.853845D+01  0.558690D+00
      3  -0.120446D+01 -0.975150D+01 -0.144820D+02  0.157460D+01 -0.924839D+01
               176           177           178           179           180 
      1   0.193657D+01 -0.413690D+01  0.231779D+01  0.459580D+01  0.506209D+00
      2  -0.163285D+01 -0.189644D+01  0.179030D+01  0.164131D+00 -0.407426D+01
      3   0.238819D+02  0.111004D+01  0.213942D+01  0.434744D+01 -0.222184D+01
               181           182           183           184           185 
      1  -0.162437D+01  0.554067D+00  0.755073D+00  0.100323D+01 -0.571638D+01
      2  -0.151201D+01  0.617800D+00  0.161601D+01  0.541512D+00 -0.226644D+01
      3   0.217486D+01 -0.949963D+00  0.712028D+00  0.112781D+01  0.231013D+02
               186           187           188           189           190 
      1  -0.505511D+01  0.106252D+01 -0.183799D+01 -0.398688D+00  0.216487D+01
      2  -0.307150D+01  0.541121D+00 -0.320113D+01  0.342243D+00  0.372713D+01
      3   0.209411D+01  0.202764D+01  0.383709D+01  0.251623D+01 -0.128941D+00
               191           192           193           194           195 
      1  -0.185483D-01 -0.109962D+00 -0.730426D-01  0.102481D+01  0.686293D+00
      2  -0.128304D+00  0.884486D-01 -0.894866D+00  0.266069D+01  0.127706D+01
      3  -0.148152D+01 -0.168862D+01 -0.109159D+01  0.156436D+01 -0.219330D+01
               196           197           198           199           200 
      1   0.837824D+00  0.299493D+01  0.143732D+02  0.875885D+00  0.677919D-02
      2  -0.300340D+01 -0.268892D+01  0.243080D+02 -0.191749D+01  0.347583D-01
      3  -0.276488D+01 -0.373833D+01  0.242986D+01 -0.289693D+00  0.151022D+00
               201           202           203           204           205 
      1   0.114047D+01  0.441030D+00  0.229611D+01 -0.348405D+01 -0.289805D+01
      2  -0.101752D+01 -0.690185D+00 -0.219352D+01  0.334861D+01  0.798731D-01
      3  -0.121958D+01  0.770683D+00 -0.204696D+01  0.150445D+01 -0.339950D+01
               206           207           208           209           210 
      1  -0.442449D+01  0.175902D+02 -0.287557D+00  0.265173D+00 -0.770416D+00
      2   0.617526D+01 -0.153832D+02 -0.150445D-01  0.643807D-01  0.805989D+00
      3   0.447688D+01 -0.337822D+01 -0.468041D+01  0.422294D+01  0.385864D+00
               211           212           213           214           215 
      1   0.125741D+00 -0.379973D+01  0.385480D+00 -0.567491D+00  0.818921D+00
      2  -0.333226D+00 -0.616120D+00  0.534820D+01 -0.206335D+00  0.122475D+01
      3   0.606146D+01 -0.326966D+02  0.515578D+00  0.108418D+01 -0.153318D+01
               216 
      1  -0.808230D-02
      2  -0.825867D+00
      3  -0.723006D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.182628D+01 -0.853528D+01 -0.223327D+00 -0.531843D+01  0.139934D+02
      2   0.257752D+01  0.118276D+02 -0.104072D+01  0.699694D+01 -0.267038D+02
      3  -0.440380D+01 -0.329231D+01  0.126405D+01 -0.167850D+01  0.127105D+02
      4  -0.406006D+01 -0.206077D+01 -0.914135D+00 -0.100818D+02  0.110685D+02
      5   0.189744D+01 -0.132149D+01 -0.397278D+00 -0.383400D+01  0.160005D+01
      6   0.776893D+00  0.189594D+01  0.142150D+01  0.277150D+01 -0.729577D+01
                 6             7             8             9            10 
      1   0.274518D+01  0.184487D+01  0.445790D+01  0.118426D+02 -0.235023D+02
      2  -0.445874D+00 -0.525595D+00 -0.116165D+02  0.619841D+01  0.115785D+02
      3  -0.229931D+01 -0.131927D+01  0.715859D+01 -0.180410D+02  0.119238D+02
      4   0.240254D+01 -0.267663D+01  0.381527D+01  0.320654D+00  0.119817D+02
      5   0.111571D+01  0.965913D+00  0.145605D+01 -0.138063D+02 -0.783753D+01
      6  -0.100765D+02 -0.218709D+00 -0.365960D+01  0.262661D+02  0.369914D+00
                11            12            13            14            15 
      1   0.530859D+01 -0.842832D+00  0.114385D+02  0.775711D+01  0.111208D+01
      2  -0.477975D+00  0.427252D+01 -0.698166D+01 -0.204016D+01 -0.183713D+01
      3  -0.483062D+01 -0.342969D+01 -0.445686D+01 -0.571694D+01  0.725045D+00
      4  -0.476804D+01  0.112251D+01  0.638246D+01 -0.630170D+01 -0.245943D+01
      5   0.114938D+01 -0.631311D+01  0.320988D+01 -0.696431D+00 -0.356014D+01
      6  -0.255116D+01  0.259822D+01 -0.145600D+01  0.573811D+00  0.984023D+00
                16            17            18            19            20 
      1  -0.126141D+02  0.248317D+01  0.789827D+01 -0.798979D+01  0.157982D+01
      2   0.440972D+01 -0.239651D+01  0.990872D+01  0.117210D+01 -0.809608D+01
      3   0.820433D+01 -0.866571D-01 -0.178070D+02  0.681769D+01  0.651627D+01
      4   0.615054D+01 -0.442515D+01 -0.238523D+01 -0.768578D+01 -0.111473D+02
      5  -0.246500D+01 -0.212380D+01  0.375181D+02  0.299615D+01  0.145033D+01
      6   0.468253D+00  0.641268D-01  0.103345D+01 -0.369650D+00  0.183443D+01
                21            22            23            24            25 
      1  -0.148631D+01 -0.824038D+01 -0.397178D+01 -0.285670D+01  0.319409D+01
      2  -0.224866D+01  0.123580D+01  0.242571D+01 -0.505761D-01  0.821608D+00
      3   0.373498D+01  0.700458D+01  0.154607D+01  0.290728D+01 -0.401570D+01
      4   0.483017D+00 -0.128359D+02 -0.335206D+01 -0.131377D+00  0.441420D+01
      5  -0.565492D+01  0.221218D+01  0.341376D+00 -0.171808D+01  0.106802D+00
      6  -0.307892D+01  0.371822D-01  0.351442D+01 -0.248084D+01 -0.417125D+00
                26            27            28            29            30 
      1   0.497150D-01  0.927640D+01 -0.119243D+02  0.127181D+02 -0.563029D+01
      2   0.166882D+01  0.121145D+02  0.502273D+01 -0.105186D+02  0.287684D+00
      3  -0.171853D+01 -0.213909D+02  0.690158D+01 -0.219949D+01  0.534260D+01
      4   0.457379D+01  0.754856D+00 -0.242083D+01 -0.909252D+01  0.293768D+01
      5   0.369999D+00 -0.139496D+02 -0.476688D+01  0.156438D+01 -0.108666D+02
      6   0.247614D+01 -0.154623D+02  0.426394D+01 -0.506922D+00 -0.437882D+00
                31            32            33            34            35 
      1   0.811911D+01  0.644352D+01 -0.401973D+01 -0.347188D+01 -0.872412D+00
      2  -0.529102D+01 -0.604044D+01  0.179564D-02 -0.221949D+01  0.236352D+01
      3  -0.282809D+01 -0.403081D+00  0.401794D+01  0.569138D+01 -0.149111D+01
      4  -0.855177D+01 -0.168031D+02 -0.180211D+01  0.180513D+01 -0.250199D+01
      5   0.520718D-01 -0.704266D+00 -0.621918D+01 -0.445265D+01  0.153289D+00
      6  -0.682660D+00  0.181782D+01 -0.374954D+01  0.843643D+00 -0.120888D+01
                36            37            38            39            40 
      1   0.902488D+01  0.461226D+01 -0.273413D+01 -0.105126D+01  0.590715D+00
      2   0.928035D+01 -0.123423D+01  0.285379D+01 -0.170650D+00  0.467149D+00
      3  -0.183052D+02 -0.337804D+01 -0.119658D+00  0.122191D+01 -0.105786D+01
      4   0.735702D+00 -0.147967D+01  0.211139D+02 -0.165671D+01  0.171603D+02
      5   0.316042D+02  0.187618D+01 -0.625446D-01  0.239519D+02 -0.175768D+01
      6  -0.116645D+02 -0.176412D+01  0.218974D+01  0.305469D+01 -0.510048D+00
                41            42            43            44            45 
      1  -0.187293D+02  0.474031D+01  0.141209D+01  0.394765D+01 -0.946376D+01
      2   0.253979D+02 -0.130264D+01 -0.220740D+01 -0.441217D+01 -0.226741D+01
      3  -0.666863D+01 -0.343767D+01  0.795313D+00  0.464515D+00  0.117312D+02
      4   0.334852D+01 -0.454271D+00 -0.765943D+01  0.997863D-01 -0.137836D+01
      5  -0.974944D+00  0.240643D+01  0.669691D+01 -0.204169D+00  0.234294D+01
      6  -0.420350D+01  0.760688D+01 -0.786545D+00  0.912093D+01  0.255893D+00
                46            47            48            49            50 
      1  -0.134285D+02  0.226015D+01  0.579482D+01 -0.994157D+01 -0.159351D+01
      2   0.755544D+01 -0.865861D+01 -0.199368D+01  0.128886D+00 -0.778631D+01
      3   0.587302D+01  0.639845D+01 -0.380114D+01  0.981268D+01  0.937982D+01
      4   0.108615D+01 -0.259079D+02 -0.186160D+01 -0.222366D+02 -0.463506D+01
      5   0.696833D+00 -0.115279D+01 -0.147218D+02  0.197542D+01  0.946773D+00
      6  -0.879229D+00 -0.331315D+01 -0.260616D+01  0.750117D+00  0.153090D+01
                51            52            53            54            55 
      1  -0.144795D+01  0.573950D+01 -0.240921D+01  0.125731D+02 -0.425375D+01
      2  -0.155259D+01  0.112979D+01  0.946421D+01  0.123614D+02 -0.381928D+01
      3   0.300055D+01 -0.686929D+01 -0.705500D+01 -0.249344D+02  0.807303D+01
      4   0.203381D+01  0.325238D+01  0.320731D+01  0.372844D+00  0.243623D+02
      5   0.485976D+01 -0.465250D+01 -0.110203D+01 -0.326155D+02 -0.316953D+01
      6  -0.397488D+01 -0.499116D+00 -0.198252D+01 -0.266448D+02  0.775768D+01
                56            57            58            59            60 
      1   0.107018D+01 -0.280113D+01  0.351151D+01 -0.374586D+02 -0.669177D+01
      2   0.456408D+01  0.115396D+01 -0.188790D+01  0.570750D+02  0.490699D+01
      3  -0.563426D+01  0.164717D+01 -0.162361D+01 -0.196164D+02  0.178478D+01
      4  -0.413319D+01  0.678050D+01  0.444370D+01 -0.166367D+02 -0.432322D+01
      5   0.126883D+01  0.530726D+01  0.203765D+01 -0.307179D+01 -0.134573D+01
      6  -0.253661D+01  0.221550D+01 -0.287168D+01  0.119784D+02  0.143032D+02
                61            62            63            64            65 
      1  -0.253469D+01 -0.100850D+02 -0.116167D+02  0.635667D-01  0.817401D+00
      2  -0.175618D+01  0.172523D+02  0.335984D+01 -0.370833D+01 -0.980361D+00
      3   0.429087D+01 -0.716726D+01  0.825684D+01  0.364476D+01  0.162959D+00
      4   0.124568D+02 -0.111635D+02 -0.242341D+01  0.104790D+01  0.243940D+01
      5   0.521654D+01 -0.423990D+01 -0.304594D+01  0.122327D+01 -0.844827D+00
      6  -0.244709D+00  0.170813D+02  0.725841D+01 -0.350349D+01 -0.624091D+00
                66            67            68            69            70 
      1   0.186723D+01  0.638054D+00 -0.488304D+01  0.324000D+01  0.237610D+01
      2  -0.634135D+00 -0.899661D+00  0.347397D+01 -0.377489D+01 -0.603652D+00
      3  -0.123310D+01  0.261607D+00  0.140907D+01  0.534890D+00 -0.177244D+01
      4  -0.284464D+01  0.245767D+01 -0.163709D+01  0.152330D+01 -0.406798D+01
      5   0.712540D+01  0.589344D-01  0.133820D+01 -0.280555D+00  0.466583D+01
      6   0.102672D+01 -0.221098D+00 -0.375187D+01  0.761952D+01 -0.245692D+00
                71            72            73            74            75 
      1   0.552305D+01 -0.187879D+02  0.301321D+02 -0.240011D+02  0.482863D+01
      2  -0.540747D+01 -0.145883D+02 -0.168062D+02  0.118866D+02 -0.639846D+01
      3  -0.115581D+00  0.333762D+02 -0.133258D+02  0.121145D+02  0.156982D+01
      4   0.334702D+01 -0.605881D+00 -0.303558D+02  0.728818D+01 -0.491337D+00
      5  -0.131706D+01  0.123346D+02  0.103572D+02 -0.206074D+00  0.103371D+02
      6   0.747269D+01 -0.266428D+02 -0.273922D+01  0.113003D+01 -0.276480D+01
                76            77            78            79            80 
      1  -0.454917D+02 -0.817663D+01 -0.794950D-02  0.198573D+02  0.320590D+00
      2   0.256268D+02  0.101594D+02  0.775046D+00 -0.124833D+02 -0.185911D+00
      3   0.198648D+02 -0.198275D+01 -0.767097D+00 -0.737401D+01 -0.134679D+00
      4   0.690875D+01 -0.231250D+02  0.579446D+01 -0.346080D+01  0.844513D+01
      5  -0.268224D+01  0.605140D+01 -0.611941D+01  0.174574D+02 -0.457165D+01
      6   0.317326D+00 -0.206076D+01  0.714760D+01 -0.258015D+01  0.582167D+01
                81            82            83            84            85 
      1   0.307868D+01  0.325246D+01 -0.118555D+01 -0.491579D+01 -0.111704D+01
      2  -0.101208D+02 -0.494692D+01  0.418821D+00  0.312825D+01  0.541027D+00
      3   0.704210D+01  0.169446D+01  0.766729D+00  0.178754D+01  0.576011D+00
      4  -0.478270D+01 -0.134408D+01  0.122638D+01  0.354854D+00  0.129933D+01
      5   0.663440D+01 -0.471001D+01 -0.330596D+00  0.755651D+01 -0.514981D+00
      6  -0.113407D+01  0.239161D+00  0.627828D-01  0.236289D+00 -0.982392D+00
                86            87            88            89            90 
      1  -0.427160D+01  0.465617D+00 -0.801444D+01  0.129657D+00 -0.157252D+02
      2   0.438541D+00  0.856829D+00  0.638896D+01  0.635499D+00 -0.178516D+02
      3   0.383306D+01 -0.132245D+01  0.162548D+01 -0.765155D+00  0.335767D+02
      4   0.183773D+01 -0.462461D+01  0.252235D+00 -0.564534D+01  0.121267D+01
      5  -0.479122D+01  0.211170D+01  0.817804D+01  0.151022D+01 -0.352185D+02
      6  -0.156545D+00  0.826810D+01 -0.109105D+00  0.511844D+01  0.157068D+01
                91            92            93            94            95 
      1   0.219817D+00 -0.467945D+00  0.222307D+01 -0.377054D+00 -0.236575D+01
      2  -0.312568D+01  0.910994D+00 -0.649157D+00  0.628189D+00 -0.995893D+00
      3   0.290586D+01 -0.443049D+00 -0.157391D+01 -0.251135D+00  0.336164D+01
      4  -0.695801D-01  0.274243D+01  0.162587D+01  0.340531D+01  0.150780D+00
      5   0.177429D+01 -0.644938D-01  0.627486D+01 -0.335644D+00  0.146825D+01
      6   0.183445D+01 -0.261266D+00 -0.677512D+00  0.142423D+00  0.140397D+01
                96            97            98            99           100 
      1  -0.735117D+00  0.275245D+01 -0.207819D+01 -0.191652D+02  0.286183D+02
      2   0.255939D+01 -0.181066D+01  0.351638D+01 -0.177359D+02 -0.118826D+02
      3  -0.182428D+01 -0.941789D+00 -0.143818D+01  0.369011D+02 -0.167357D+02
      4   0.179512D+01  0.297156D+01  0.324427D+01  0.398781D+00  0.247197D+02
      5  -0.883325D+00  0.560184D+01  0.344610D+00  0.134668D+02 -0.379964D+01
      6   0.688831D+01  0.559158D+00  0.513568D+01  0.153666D+02 -0.265376D+01
               101           102           103           104           105 
      1  -0.546617D+01 -0.181089D+01 -0.143217D+01  0.172427D+02  0.579080D+01
      2   0.149600D+02  0.375710D+01  0.697545D+01 -0.171948D+02 -0.482413D+01
      3  -0.949387D+01 -0.194621D+01 -0.554328D+01 -0.479495D-01 -0.966677D+00
      4   0.263910D+02 -0.168497D+01  0.215152D+02  0.202791D+00 -0.298660D+01
      5   0.410223D-01  0.119050D+02 -0.457547D+00 -0.495507D+01  0.164206D+01
      6   0.216911D+00  0.408425D+01  0.233130D+00 -0.708881D+01  0.746140D+01
               106           107           108           109           110 
      1  -0.637910D+01  0.635174D+01 -0.198361D+01 -0.137541D+02 -0.112857D+02
      2   0.264888D+01 -0.102880D+02 -0.505903D+01  0.106686D+02  0.461271D+01
      3   0.373022D+01  0.393622D+01  0.704263D+01  0.308543D+01  0.667294D+01
      4  -0.683549D+01 -0.864392D+01  0.527243D+01 -0.138022D+02  0.539154D+00
      5   0.105970D+02  0.321486D+01 -0.263357D+01  0.132137D+02 -0.269319D+01
      6   0.597930D+01  0.738353D+01 -0.398046D+01 -0.756036D+01  0.485935D+01
               111           112           113           114           115 
      1   0.277887D+01 -0.315474D+02  0.143568D+02  0.199961D+01  0.234599D+02
      2  -0.555071D+01  0.236619D+02 -0.349550D+02 -0.774918D+01 -0.103287D+02
      3   0.277184D+01  0.788550D+01  0.205982D+02  0.574957D+01 -0.131312D+02
      4  -0.606978D+01 -0.769686D+01  0.392749D+02  0.619517D+01 -0.212512D+01
      5  -0.355451D+01  0.239905D+01  0.625661D+01 -0.642850D+01 -0.340002D+01
      6  -0.478962D+01  0.356379D+00 -0.347780D+01 -0.661181D+00  0.884803D+00
               116           117           118           119           120 
      1   0.173723D+01  0.174533D+02  0.308861D+01 -0.203256D+01 -0.236981D+01
      2  -0.541130D+01  0.853050D+01 -0.448995D+01  0.122984D+01  0.201335D+01
      3   0.367407D+01 -0.259838D+02  0.140134D+01  0.802719D+00  0.356452D+00
      4   0.930417D+01  0.570117D+01 -0.255689D+01  0.289178D+01  0.110848D+01
      5   0.531199D+01 -0.448393D+02 -0.329403D+01 -0.364133D+00  0.927657D+01
      6  -0.354970D+01  0.201207D+02  0.131947D+01  0.127870D+00 -0.841356D+00
               121           122           123           124           125 
      1  -0.141897D+01 -0.430742D+01 -0.829104D+00 -0.569946D+01 -0.993195D+00
      2   0.431165D+00  0.124910D+01  0.148068D+01  0.729255D+01  0.948755D+00
      3   0.987803D+00  0.305832D+01 -0.651581D+00 -0.159309D+01  0.444395D-01
      4   0.328983D+01  0.758980D+00 -0.212883D+01  0.349140D+01 -0.307834D+01
      5  -0.284390D-01 -0.314452D+01  0.855776D+00  0.838956D+01 -0.110416D+01
      6  -0.468377D+00  0.162594D+01  0.779759D+01 -0.142862D+01  0.580995D+01
               126           127           128           129           130 
      1  -0.185338D+02  0.222896D+02  0.270067D+01  0.253687D+00  0.674602D+01
      2  -0.161530D+02 -0.238907D+01  0.103101D+02  0.143629D+01  0.647122D+01
      3   0.346868D+02 -0.199006D+02 -0.130108D+02 -0.168998D+01 -0.132172D+02
      4  -0.156636D+01  0.280022D+02  0.328773D+02 -0.487802D+00  0.316201D+02
      5  -0.251113D+02 -0.267772D+01 -0.784581D+00  0.106011D+02  0.163851D+00
      6   0.117421D+02 -0.305361D+00 -0.110102D+01  0.493900D+01  0.951194D+00
               131           132           133           134           135 
      1  -0.868583D+01 -0.770471D+00 -0.104809D+01 -0.446888D+01  0.552544D+01
      2   0.323598D+02  0.252006D+01  0.142169D+01  0.383112D+01 -0.448871D+01
      3  -0.236739D+02 -0.174959D+01 -0.373606D+00  0.637760D+00 -0.103673D+01
      4   0.332955D+02  0.200578D+01  0.382638D+01  0.622472D+01 -0.191599D+01
      5   0.158281D+01 -0.119765D+01  0.641265D+01 -0.278213D+01  0.229026D+02
      6   0.135573D+01  0.530607D+01  0.119916D+01  0.149318D+00  0.274182D+02
               136           137           138           139           140 
      1   0.354479D+00  0.624699D+00  0.357970D+01 -0.273371D+00 -0.336067D+01
      2  -0.314520D+01  0.412194D-01 -0.167441D+01  0.124741D+01  0.129971D+01
      3   0.279072D+01 -0.665918D+00 -0.190529D+01 -0.974043D+00  0.206095D+01
      4   0.149825D+01  0.472931D+01  0.345128D+01  0.466539D+01  0.158342D+01
      5   0.411784D+01  0.674106D+00  0.845461D+01 -0.221048D+00  0.281569D+01
      6   0.382096D+01 -0.438372D-01  0.731046D+00  0.987367D-01  0.364885D+01
               141           142           143           144           145 
      1  -0.218701D+01  0.328969D+01 -0.414028D+01 -0.194173D+02  0.122968D+02
      2   0.349043D+01 -0.386115D+01  0.252741D+01 -0.160808D+02  0.573600D+01
      3  -0.130342D+01  0.571458D+00  0.161287D+01  0.354981D+02 -0.180327D+02
      4   0.233031D+01  0.638734D+01  0.615077D+01  0.369894D+01 -0.359252D+02
      5  -0.601299D+00  0.912886D+01  0.376094D+01  0.268018D+02  0.392847D+00
      6   0.773093D+01  0.340606D+01  0.885906D+01  0.263306D+02 -0.393379D+01
               146           147           148           149           150 
      1   0.159354D+01  0.228404D+01 -0.155120D+01 -0.156006D+01  0.570644D-01
      2  -0.157037D+02  0.323524D+00 -0.659390D+01  0.110729D+02 -0.160331D+01
      3   0.141101D+02 -0.260757D+01  0.814509D+01 -0.951283D+01  0.154625D+01
      4   0.250756D+02 -0.370445D+01  0.172039D+02 -0.137931D+02  0.163896D+01
      5   0.306209D+00  0.340587D+01  0.496047D+00  0.466429D+00 -0.269902D+01
      6   0.102754D+01 -0.672033D+01  0.105518D+01 -0.912353D+00  0.374485D+01
               151           152           153           154           155 
      1   0.223055D+01  0.755409D+00  0.511323D+00  0.492034D+02  0.168273D+02
      2   0.118325D+01 -0.366514D+01  0.970881D+00 -0.269464D+02 -0.953732D+01
      3  -0.341380D+01  0.290973D+01 -0.148220D+01 -0.222570D+02 -0.728994D+01
      4  -0.787730D+01  0.532824D+01 -0.432091D+01  0.131692D+02  0.144438D+02
      5   0.335279D+01 -0.182915D+01  0.133923D+01  0.100775D+01 -0.538810D-01
      6  -0.422004D+01  0.371016D+01 -0.856057D+00  0.130832D+01  0.135516D+01
               156           157           158           159           160 
      1  -0.119012D+01  0.351610D+02  0.134378D+02 -0.893030D-02 -0.594184D+01
      2  -0.223341D+00 -0.200356D+02 -0.614485D+01 -0.451989D+00  0.345570D+01
      3   0.141346D+01 -0.151254D+02 -0.729294D+01  0.460919D+00  0.248614D+01
      4  -0.421210D+00  0.131463D+02  0.161395D+02 -0.146555D+01 -0.170590D+01
      5   0.785831D+01  0.913630D+00 -0.146918D+01  0.498665D+01  0.584118D+01
      6   0.399131D-01  0.140420D+01  0.935947D+00 -0.276296D+00  0.409191D+00
               161           162           163           164           165 
      1  -0.189364D+01  0.403640D+01 -0.176683D+01  0.566674D+01  0.101430D+01
      2   0.911845D+00 -0.267991D+01  0.313936D+01 -0.711621D+01 -0.969482D+00
      3   0.981796D+00 -0.135648D+01 -0.137252D+01  0.144947D+01 -0.448192D-01
      4  -0.237970D+01  0.172772D+01 -0.182242D+01 -0.525871D+00  0.441327D+00
      5   0.216558D+01  0.293532D+00  0.273506D+00 -0.542662D+00 -0.530357D+00
      6   0.971699D+00 -0.684771D+00  0.115860D+01 -0.799176D+00  0.194324D+00
               166           167           168           169           170 
      1   0.663304D+01 -0.284395D+02 -0.228415D+01  0.149459D+01 -0.530540D+01
      2  -0.231413D+01  0.469151D+02  0.382915D+01 -0.976501D+00  0.730423D+01
      3  -0.431891D+01 -0.184756D+02 -0.154500D+01 -0.518090D+00 -0.199883D+01
      4   0.809426D+01  0.257261D+02  0.161078D+01  0.119986D+01  0.396133D+01
      5  -0.325384D+00  0.293700D+01  0.408875D+01  0.709051D+00  0.237091D+01
      6  -0.282383D+00  0.378322D+01  0.608904D+01  0.153419D+00  0.560754D+01
               171           172           173           174           175 
      1  -0.274575D+01  0.817078D+02  0.282986D+01 -0.604819D+01  0.281426D+01
      2   0.374385D+01 -0.476069D+02 -0.231607D+00  0.737982D+01 -0.345008D+01
      3  -0.998103D+00 -0.341009D+02 -0.259825D+01 -0.133164D+01  0.635827D+00
      4   0.197395D+01 -0.424336D+01  0.159032D+02  0.290132D+01  0.231884D+02
      5   0.915861D-01 -0.127496D+02  0.125940D+01  0.161497D+02  0.680721D-01
      6   0.155988D+01  0.348856D+01 -0.229069D+01  0.209100D+01 -0.126166D+01
               176           177           178           179           180 
      1   0.125183D+02  0.317491D+01 -0.231685D+02 -0.160423D+00  0.722404D+01
      2  -0.630654D+00  0.112752D+01  0.141528D+02 -0.629801D+00 -0.139631D+02
      3  -0.118876D+02 -0.430243D+01  0.901566D+01  0.790224D+00  0.673904D+01
      4  -0.325757D+02 -0.430802D+01  0.128443D+01 -0.587267D+01 -0.141013D+01
      5  -0.485712D+01 -0.316579D+01  0.227716D+02  0.905348D+00 -0.839506D+01
      6   0.128879D+01  0.939113D+01 -0.253240D+01  0.533183D+01 -0.642424D+00
               181           182           183           184           185 
      1   0.306240D+01 -0.646981D+01 -0.316752D+01 -0.680961D+01 -0.213658D+02
      2   0.325656D+01  0.142118D+01  0.103652D+01 -0.373803D+01  0.495351D+02
      3  -0.631896D+01  0.504863D+01  0.213099D+01  0.105476D+02 -0.281693D+02
      4  -0.875826D+01  0.112873D+02  0.180888D+01  0.203539D+02 -0.544085D+02
      5  -0.290345D+01  0.532537D+00  0.279502D+01  0.390870D+00 -0.348430D+01
      6   0.185462D+01 -0.598276D+00 -0.105240D+01  0.200419D+00  0.199177D+01
               186           187           188           189           190 
      1  -0.173123D+01 -0.560230D+01 -0.353815D+01 -0.381142D+01  0.132708D+01
      2   0.442707D+01  0.139425D+01  0.748629D+01  0.334773D+01 -0.458492D+01
      3  -0.269584D+01  0.420805D+01 -0.394814D+01  0.463688D+00  0.325784D+01
      4  -0.407981D+01  0.478633D+01 -0.944284D+01 -0.683360D+01  0.111707D+01
      5  -0.617293D+01  0.362240D+01 -0.686033D+01  0.119337D+01  0.658237D+01
      6   0.750792D+01 -0.192480D+01  0.799894D+01  0.197108D+01 -0.219835D+01
               191           192           193           194           195 
      1   0.145905D+01  0.836709D+01  0.578397D+01 -0.468087D+01  0.968583D+00
      2  -0.132742D+01 -0.416741D+01 -0.430699D+01  0.367742D+01 -0.260187D+01
      3  -0.131629D+00 -0.419968D+01 -0.147698D+01  0.100345D+01  0.163328D+01
      4   0.163721D+01 -0.234576D+01  0.123366D+01 -0.478571D+01  0.471880D+01
      5  -0.517520D+00  0.663568D+01 -0.670650D-02  0.504839D+01  0.289638D+01
      6  -0.815580D+00  0.768636D+00  0.332720D+00 -0.169331D+01  0.469731D+01
               196           197           198           199           200 
      1   0.107934D+02  0.406060D+01 -0.218028D+02  0.814286D+00  0.168011D+01
      2  -0.777238D+01 -0.265996D+01 -0.155022D+02 -0.837320D+00 -0.476058D+00
      3  -0.302099D+01 -0.140064D+01  0.373050D+02  0.230341D-01 -0.120405D+01
      4  -0.457306D+01  0.730027D+01 -0.661716D+01  0.216546D+01  0.130673D+01
      5   0.110219D+02 -0.648737D+01  0.512467D+02 -0.132818D+01 -0.274647D+00
      6  -0.250479D+01  0.896724D+01 -0.228748D+02 -0.208763D+01  0.997449D+00
               201           202           203           204           205 
      1  -0.306562D+01  0.177854D+01 -0.461480D+01  0.267035D+01 -0.543755D+01
      2   0.138775D+01  0.993263D-01  0.680928D+01 -0.422438D+01  0.156198D+01
      3   0.167787D+01 -0.187786D+01 -0.219448D+01  0.155402D+01  0.387556D+01
      4  -0.189000D+01  0.313580D+01  0.552955D+01 -0.358693D+01 -0.105341D+02
      5  -0.467196D-01 -0.107290D+01 -0.321978D+01  0.565821D+01  0.595221D+01
      6  -0.210739D+01 -0.113052D+01 -0.529291D+01  0.813497D+01  0.519053D+01
               206           207           208           209           210 
      1   0.814336D+01 -0.112075D+02 -0.362272D+00  0.684789D+01  0.106844D+01
      2  -0.105073D+02  0.290715D+01  0.187240D+01 -0.281602D+01 -0.184377D+00
      3   0.236389D+01  0.830030D+01 -0.151013D+01 -0.403187D+01 -0.884064D+00
      4  -0.131660D+02  0.106292D+02  0.672863D+01 -0.775932D+00 -0.424286D+00
      5   0.103162D+02 -0.264453D+02  0.419775D+00 -0.813719D+00  0.150483D+01
      6   0.149592D+02 -0.323518D+02 -0.197591D+00 -0.255449D+00  0.167529D+01
               211           212           213           214           215 
      1   0.294012D+02 -0.293854D+01 -0.220710D+01  0.173892D+01 -0.827926D+00
      2  -0.172064D+02  0.191140D+01  0.206896D+01 -0.104460D+01  0.456858D+00
      3  -0.121948D+02  0.102714D+01  0.138139D+00 -0.694319D+00  0.371068D+00
      4  -0.368562D+01  0.404920D+02 -0.105646D+00 -0.762800D+00  0.131740D+01
      5  -0.274108D+01  0.515632D+00  0.977017D+01  0.269742D+01  0.209616D+01
      6   0.808923D+00 -0.129694D+01 -0.240530D+01 -0.272861D-01  0.184243D+01
               216 
      1   0.111352D+01
      2  -0.935362D+00
      3  -0.178160D+00
      4   0.144081D+01
      5  -0.211674D+01
      6   0.264071D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.159615D+01      0.405700D+01      0.135327D+02
   x         -0.136585D+01     -0.347164D+01     -0.115801D+02
   y          0.461541D+00      0.117312D+01      0.391311D+01
   z          0.684924D+00      0.174090D+01      0.580702D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119411D+03      0.176949D+02      0.196882D+02
   aniso      0.195489D+02      0.289685D+01      0.322318D+01
   xx         0.129826D+03      0.192382D+02      0.214054D+02
   yx         0.209817D+01      0.310917D+00      0.345942D+00
   yy         0.120314D+03      0.178287D+02      0.198371D+02
   zx        -0.611756D+00     -0.906529D-01     -0.100865D+00
   zy        -0.198080D+01     -0.293524D+00     -0.326590D+00
   zz         0.108093D+03      0.160178D+02      0.178222D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.111650D+03      0.165449D+02      0.184087D+02
   aniso      0.241773D+02      0.358270D+01      0.398630D+01
   xx         0.124416D+03      0.184365D+02      0.205134D+02
   yx         0.135443D+01      0.200705D+00      0.223315D+00
   yy         0.113481D+03      0.168162D+02      0.187105D+02
   zx        -0.407391D+00     -0.603691D-01     -0.671696D-01
   zy        -0.178096D+01     -0.263911D+00     -0.293640D+00
   zz         0.970543D+02      0.143820D+02      0.160021D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.51243421          2.05185127          1.53649491
     6         -1.15796426         -0.36448472          2.93332797
     6          1.40188424          1.50004049         -0.52464397
     6          0.42813199         -0.59720092         -2.26050037
     8         -0.11382100         -2.78654584         -0.77695586
     6         -2.01071320         -2.39069448          1.05710267
     8          0.56065961          3.91403237          3.14865889
     1         -2.24146208          2.79035971          0.65892951
     8         -3.08365959          0.20954677          4.70522807
     1          0.54534489         -1.05918845          3.89819880
     1          3.15750760          0.84458810          0.36443230
     8          1.88747222          3.69337135         -2.00299005
     6          2.34339614         -1.37547956         -4.26706095
     1         -1.29449252          0.05542791         -3.21501197
     8         -2.50819052         -4.68132361          2.26898060
     1         -3.79115175         -1.81799585          0.16338590
     1         -0.61584822          4.22919099          4.50472352
     1         -3.64736660         -1.35669678          5.45076624
     1          2.25397852          5.06043141         -0.85172443
     8          2.61568606          0.47020758         -6.17774054
     1          1.67307866         -3.09862269         -5.17525860
     1          4.15379476         -1.80411954         -3.34652631
     1         -0.90523162         -5.42248654          2.73757268
     1          2.89283811          2.08062916         -5.35926139

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.159615D+01      0.405700D+01      0.135327D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.159615D+01      0.405700D+01      0.135327D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119411D+03      0.176949D+02      0.196882D+02
   aniso      0.195489D+02      0.289685D+01      0.322318D+01
   xx         0.112884D+03      0.167277D+02      0.186121D+02
   yx         0.335204D+01      0.496722D+00      0.552678D+00
   yy         0.121401D+03      0.179898D+02      0.200164D+02
   zx        -0.878865D+01     -0.130234D+01     -0.144905D+01
   zy        -0.230966D+01     -0.342256D+00     -0.380811D+00
   zz         0.123948D+03      0.183672D+02      0.204363D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.111650D+03      0.165449D+02      0.184087D+02
   aniso      0.241773D+02      0.358270D+01      0.398630D+01
   xx         0.103413D+03      0.153243D+02      0.170506D+02
   yx         0.430164D+01      0.637437D+00      0.709245D+00
   yy         0.113888D+03      0.168764D+02      0.187775D+02
   zx        -0.109641D+02     -0.162471D+01     -0.180773D+01
   zy        -0.130682D+01     -0.193651D+00     -0.215466D+00
   zz         0.117650D+03      0.174339D+02      0.193979D+02

 ----------------------------------------------------------------------
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 SUCCESS-- IF YOU HAVE TRIED TO DO SOMETHING AND FAILED
           YOU ARE BETTER OFF THAN IF YOU HAD TRIED TO DO
           NOTHING AND SUCCEEDED.

                   -- FROM THE BACK OF A SUGAR PACKET
 Job cpu time:       0 days  2 hours 49 minutes 46.5 seconds.
 Elapsed time:       0 days  0 hours 21 minutes 18.2 seconds.
 File lengths (MBytes):  RWF=    398 Int=      0 D2E=      0 Chk=     19 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 19:35:11 2022.
